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###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section C. It conforms to the editorial and technical    #
# requirements of Notes for Authors for Section C, and has been peer         #
# reviewed under the auspices of the IUCr Commission on Journals.            #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.0.1.  #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
data_global
_journal_date_recd_electronic     1999-07-06
_journal_date_accepted     1999-09-20
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2000
_journal_volume     56
_journal_issue      1
_journal_page_first     99
_journal_page_last     101
_journal_paper_category     FO
_publ_contact_author_name     'John Masnovi'
_publ_contact_author_address
;
 Department of Chemistry
      Cleveland State University
      Cleveland, OH 44115
;
_publ_contact_author_email     j.masnovi@popmail.csuohio.edu
_publ_contact_author_fax     216-687-9298
_publ_contact_author_phone     216-687-2469
_publ_section_title
;
 9-Phenyl-3,4,4a,9a-tetrahydrotriptycene and
9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene
;
_publ_section_title_footnote
;
IUPAC names: 9,10-dihydro-9,10[1',2']cyclohex-3-enoanthracene and
9,10-dihydro-9,10[1',2']cyclohexanoanthracene.
;
loop_
    _publ_author_name
    _publ_author_address
    'Duan, Shaoming'
;  Department of Chemistry
   Cleveland State University
   Cleveland, OH 44115
   USA
;
    'Baker, Ronald J.'
;  Department of Chemistry
   Cleveland State University
   Cleveland, OH 44115
   USA
;
    'Masnovi, John'
;  Department of Chemistry
   Cleveland State University
   Cleveland, OH 44115
   USA
;
data_(I)
_chemical_name_systematic
;
 cis-9-Phenyl-3,4,4a,9,9a,10-hexahydro-9,10[1',2']benzenoanthracene
;
_chemical_name_common     '9-Phenyl-3,4,4a,9a-tetrahydrotriptycene'
_chemical_formula_moiety     'C26 H22 '
_chemical_formula_sum     'C26 H22 '
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_weight     334.46
_symmetry_cell_setting     Triclinic
_symmetry_space_group_name_H-M     'P -1'
loop_
    _symmetry_equiv_pos_as_xyz
    x,y,z
    -x,-y,-z
_cell_length_a     9.3991(7)
_cell_length_b     9.7733(4)
_cell_length_c     10.5899(7)
_cell_angle_alpha     90.376(4)
_cell_angle_beta     71.465(5)
_cell_angle_gamma     104.463(5)
_cell_volume     890.29(10)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     7.9
_cell_measurement_theta_max     18.3
_cell_measurement_temperature     293
_exptl_crystal_description     'prism'
_exptl_crystal_colour     'colorless'
_exptl_crystal_size_max      .48
_exptl_crystal_size_mid      .47
_exptl_crystal_size_min      .47
_exptl_crystal_size_rad     ?
_exptl_crystal_density_diffrn     1.248
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     356.10
_exptl_absorpt_coefficient_mu      .07
_exptl_absorpt_correction_type     none
_exptl_absorpt_correction_T_min     1.0000
_exptl_absorpt_correction_T_max     1.0000
_exptl_special_details
;
 ?  #Insert any special details here.
;
_diffrn_ambient_temperature     293
_diffrn_radiation_type     'Molybdenum K\a'
_diffrn_radiation_wavelength      .70930
_diffrn_radiation_source     'xray tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device     'Nonius CAD-4'
_diffrn_measurement_method     'ω scan b/P/b'
_diffrn_reflns_number     3306
_diffrn_reflns_av_R_equivalents      .009
_diffrn_reflns_av_sigmaI/netI     ?
_diffrn_reflns_theta_min      .00
_diffrn_reflns_theta_max     24.93
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     12
_diffrn_reflns_reduction_process     ?
_diffrn_standards_number     5
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_diffrn_standards_decay_%     1.5
loop_
    _diffrn_standard_refln_index_h
    _diffrn_standard_refln_index_k
    _diffrn_standard_refln_index_l
    2 3 -2
    0 0 6
    -2 5 0
    0 5 1
    -1 5 1
_reflns_number_total     3120
_reflns_number_gt     2527
_reflns_threshold_expression     'Inet > 2.0σ(Inet)'
_refine_ls_structure_factor_coef     F
_refine_ls_matrix_type     atomblock
_refine_ls_R_factor_all      .042
_refine_ls_R_factor_gt      .042
_refine_ls_wR_factor_all      .050
_refine_ls_wR_factor_ref      .050
_refine_ls_goodness_of_fit_all     ?
_refine_ls_goodness_of_fit_ref     2.03
_refine_ls_restrained_S_all     ?
_refine_ls_restrained_S_obs     ?
_refine_ls_number_reflns     2526
_refine_ls_number_parameters     236
_refine_ls_number_restraints     ?
_refine_ls_number_constraints     ?
_refine_ls_hydrogen_treatment     noref
_refine_ls_weighting_scheme     '1/[\s^2^(F)+0.0003F^2^]'
_refine_ls_shift/su_max      .000
_refine_ls_shift/esd_mean     ?
_refine_diff_density_max      .16
_refine_diff_density_min      -.20
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_extinction_coef      .79(11)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    C ?  .002  .002 'International Tables Vol. IV Table 2.2B'
    H ?  .000  .000 'International Tables Vol. IV Table 2.2B'
_computing_data_collection     'CAD-4-PC (Enraf-Nonius, 1993)'
_computing_cell_refinement     'SET4 and CELDIM in CAD-4-PC'
_computing_data_reduction     'DATRD2 in NRCVAX (Gabe et al., 1989)'
_computing_structure_solution     'SOLVER in NRCVAX'
_computing_structure_refinement     'LSTSQ in NRCVAX'
_computing_molecular_graphics     'NRCVAX'
_computing_publication_material     'TABLES in NRCVAX (January 94 version)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_type_symbol
    C1  .66296(18)  .78052(16)  .96484(16)  .0400(10) Uij ? . C
    C2  .82338(19)  .81725(18)  .93994(18)  .0486(10) Uij ? . C
    C3  .88355(19)  .82162(18) 1.04308(2)  .0505(11) Uij ? . C
    C4  .78480(18)  .79082(17) 1.17357(18)  .0449(11) Uij ? . C
    C4a  .62561(17)  .75557(16) 1.19930(16)  .0361(9) Uij ? . C
    C5  .34789(19)  .88392(17) 1.45918(16)  .0432(10) Uij ? . C
    C6  .2395(2)  .95896(19) 1.46574(17)  .0510(11) Uij ? . C
    C7  .1725(2)  .95238(19) 1.36688(18)  .0502(11) Uij ? . C
    C8  .21343(18)  .87095(17) 1.25958(16)  .0406(10) Uij ? . C
    C8a  .32545(16)  .79899(15) 1.24967(14)  .0332(8) Uij ? . C
    C9  .38382(16)  .70242(15) 1.14113(15)  .0321(8) Uij ? . C
    C9a  .56354(17)  .74977(15) 1.09536(15)  .0340(9) Uij ? . C
    C10  .50456(17)  .71465(16) 1.33420(15)  .0373(9) Uij ? . C
    C10a  .39132(17)  .80403(16) 1.35164(15)  .0359(9) Uij ? . C
    C11  .33687(17)  .55181(15) 1.21896(15)  .0337(9) Uij ? . C
    C12  .16317(18)  .48710(17) 1.27215(16)  .0419(10) Uij ? . C
    C13  .09612(19)  .39442(18) 1.37731(18)  .0481(10) Uij ? . C
    C14  .1827(2)  .36218(19) 1.46361(19)  .0546(11) Uij ? . C
    C15  .30132(19)  .49778(18) 1.46931(16)  .0440(10) Uij ? . C
    C16  .41399(17)  .55831(16) 1.33088(15)  .0358(9) Uij ? . C
    C17  .32674(16)  .70455(16) 1.02133(15)  .0336(8) Uij ? . C
    C18  .26641(19)  .58167(16)  .96789(16)  .0406(9) Uij ? . C
    C19  .2199(2)  .58919(18)  .85687(17)  .0484(11) Uij ? . C
    C20  .2345(2)  .7178(2)  .79633(17)  .0499(11) Uij ? . C
    C21  .2982(2)  .84099(18)  .84534(17)  .0467(10) Uij ? . C
    C22  .34306(18)  .83335(17)  .95686(16)  .0399(9) Uij ? . C
    H1  .6218  .7800  .8904  .037 Uiso ? . H
    H2  .8917  .8367  .8487  .063 Uiso ? . H
    H3  .9984  .8466 1.0253  .068 Uiso ? . H
    H4  .8233  .7924 1.2494  .051 Uiso ? . H
    H5  .3940  .8840 1.5311  .049 Uiso ? . H
    H6  .2125 1.0157 1.5392  .061 Uiso ? . H
    H7  .0932 1.0069 1.3701  .062 Uiso ? . H
    H8  .1647  .8689 1.1876  .043 Uiso ? . H
    H10  .5515  .7242 1.4091  .036 Uiso ? . H
    H11  .3805  .4886 1.1532  .036 Uiso ? . H
    H12  .1030  .5117 1.2195  .047 Uiso ? . H
    H13  -.0148  .3554 1.4039  .062 Uiso ? . H
    H14A  .1119  .3308 1.5534  .073 Uiso ? . H
    H14B  .2435  .2901 1.4249  .073 Uiso ? . H
    H15A  .2453  .5713 1.5066  .047 Uiso ? . H
    H15B  .3603  .4813 1.5308  .047 Uiso ? . H
    H16  .4882  .5015 1.3074  .039 Uiso ? . H
    H18  .2581  .4894 1.0062  .033 Uiso ? . H
    H19  .1764  .4992  .8231  .057 Uiso ? . H
    H20  .2016  .7244  .7183  .058 Uiso ? . H
    H21  .3111  .9348  .8039  .053 Uiso ? . H
    H22  .3868  .9196  .9911  .052 Uiso ? . H
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 C2 . . 1.396(2) no
    C1 C9a . . 1.385(2) no
    C1 H1 . .  .982 no
    C2 C3 . . 1.376(3) no
    C2 H2 . .  .964 no
    C3 C4 . . 1.384(3) no
    C3 H3 . . 1.000 no
    C4 C4a . . 1.384(2) no
    C4 H4 . .  .979 no
    C4a C9a . . 1.395(2) no
    C4a C10 . . 1.497(2) yes
    C5 C6 . . 1.381(3) no
    C5 C10a . . 1.388(2) no
    C5 H5 . .  .989 no
    C6 C7 . . 1.377(3) no
    C6 H6 . .  .957 no
    C7 C8 . . 1.391(2) no
    C7 H7 . . 1.011 no
    C8 C8a . . 1.383(2) no
    C8 H8 . . 1.004 no
    C8a C9 . . 1.535(2) yes
    C8a C10a . . 1.400(2) no
    C9 C9a . . 1.547(2) yes
    C9 C11 . . 1.581(2) yes
    C9 C17 . . 1.528(2) yes
    C10 C10a . . 1.506(2) yes
    C10 C16 . . 1.559(2) yes
    C10 H10 . . 1.017 no
    C11 C12 . . 1.512(2) yes
    C11 C16 . . 1.567(2) yes
    C11 H11 . .  .987 no
    C12 C13 . . 1.319(2) yes
    C12 H12 . .  .979 no
    C13 C14 . . 1.484(3) yes
    C13 H13 . .  .963 no
    C14 C15 . . 1.519(2) yes
    C14 H14A . .  .970 no
    C14 H14B . . 1.019 no
    C15 C16 . . 1.527(2) yes
    C15 H15A . . 1.002 no
    C15 H15B . . 1.017 no
    C16 H16 . .  .968 no
    C17 C18 . . 1.393(2) no
    C17 C22 . . 1.386(2) no
    C18 C19 . . 1.387(2) no
    C18 H18 . .  .966 no
    C19 C20 . . 1.371(3) no
    C19 H19 . .  .988 no
    C20 C21 . . 1.380(2) no
    C20 H20 . .  .977 no
    C21 C22 . . 1.383(2) no
    C21 H21 . .  .982 no
    C22 H22 . .  .963 no
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_1
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    ? ? ? ? ? ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 C1 C9a . . . 119.33(15) no
    C2 C1 H1 . . . 120.0 no
    C9a C1 H1 . . . 120.7 no
    C1 C2 C3 . . . 120.91(16) no
    C1 C2 H2 . . . 118.8 no
    C3 C2 H2 . . . 120.3 no
    C2 C3 C4 . . . 120.02(15) no
    C2 C3 H3 . . . 121.0 no
    C4 C3 H3 . . . 119.0 no
    C3 C4 C4a . . . 119.48(16) no
    C3 C4 H4 . . . 122.4 no
    C4a C4 H4 . . . 118.2 no
    C4 C4a C9a . . . 120.90(15) no
    C4 C4a C10 . . . 125.64(14) no
    C9a C4a C10 . . . 113.40(13) no
    C6 C5 C10a . . . 119.97(15) no
    C6 C5 H5 . . . 121.2 no
    C10a C5 H5 . . . 118.8 no
    C5 C6 C7 . . . 120.01(15) no
    C5 C6 H6 . . . 119.2 no
    C7 C6 H6 . . . 120.8 no
    C6 C7 C8 . . . 120.53(15) no
    C6 C7 H7 . . . 121.0 no
    C8 C7 H7 . . . 118.5 no
    C7 C8 C8a . . . 119.99(15) no
    C7 C8 H8 . . . 119.4 no
    C8a C8 H8 . . . 120.6 no
    C8 C8a C9 . . . 127.67(13) no
    C8 C8a C10a . . . 119.22(14) no
    C9 C8a C10a . . . 112.99(13) no
    C8a C9 C9a . . . 106.65(11) no
    C8a C9 C11 . . . 104.22(11) no
    C8a C9 C17 . . . 114.74(12) no
    C9a C9 C11 . . . 105.42(11) no
    C9a C9 C17 . . . 110.37(12) no
    C11 C9 C17 . . . 114.68(12) no
    C1 C9a C4a . . . 119.36(14) no
    C1 C9a C9 . . . 126.40(13) no
    C4a C9a C9 . . . 114.20(13) no
    C4a C10 C10a . . . 108.34(12) no
    C4a C10 C16 . . . 106.18(12) no
    C4a C10 H10 . . . 112.4 no
    C10a C10 C16 . . . 107.14(12) no
    C10a C10 H10 . . . 111.5(8) no
    C16 C10 H10 . . . 111.1 no
    C5 C10a C8a . . . 120.22(14) no
    C5 C10a C10 . . . 125.27(14) no
    C8a C10a C10 . . . 114.48(13) no
    C9 C11 C12 . . . 113.35(12) no
    C9 C11 C16 . . . 110.59(11) no
    C9 C11 H11 . . . 106.3 no
    C12 C11 C16 . . . 112.22(12) no
    C12 C11 H11 . . . 106.5 no
    C16 C11 H11 . . . 107.4 no
    C11 C12 C13 . . . 122.69(14) no
    C11 C12 H12 . . . 116.1 no
    C13 C12 H12 . . . 121.1 no
    C12 C13 C14 . . . 122.02(15) no
    C12 C13 H13 . . . 118.2 no
    C14 C13 H13 . . . 119.4 no
    C13 C14 C15 . . . 107.96(14) no
    C13 C14 H14A . . . 109.9 no
    C13 C14 H14B . . . 111.9 no
    C15 C14 H14A . . . 108.6 no
    C15 C14 H14B . . . 106.7 no
    H14A C14 H14B . . . 111.6 no
    C14 C15 C16 . . . 112.15(14) no
    C14 C15 H15A . . . 108.8 no
    C14 C15 H15B . . . 110.5 no
    C16 C15 H15A . . . 106.7 no
    C16 C15 H15B . . . 110.6 no
    H15A C15 H15B . . . 107.9 no
    C10 C16 C11 . . . 108.69(12) no
    C10 C16 C15 . . . 111.02(13) no
    C10 C16 H16 . . . 108.1 no
    C11 C16 C15 . . . 114.67(12) no
    C11 C16 H16 . . . 108.2 no
    C15 C16 H16 . . . 105.9 no
    C9 C17 C18 . . . 122.85(13) no
    C9 C17 C22 . . . 119.49(13) no
    C18 C17 C22 . . . 117.56(14) no
    C17 C18 C19 . . . 120.70(15) no
    C17 C18 H18 . . . 120.7 no
    C19 C18 H18 . . . 118.6 no
    C18 C19 C20 . . . 120.64(15) no
    C18 C19 H19 . . . 117.9 no
    C20 C19 H19 . . . 121.5 no
    C19 C20 C21 . . . 119.61(15) no
    C19 C20 H20 . . . 121.3 no
    C21 C20 H20 . . . 119.0 no
    C20 C21 C22 . . . 119.68(15) no
    C20 C21 H21 . . . 121.7 no
    C22 C21 H21 . . . 118.6 no
    C17 C22 C21 . . . 121.78(14) no
    C17 C22 H22 . . . 118.8 no
    C21 C22 H22 . . . 119.4 no
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C9a C1 C2 C3 . . . .  .77(18) no
    C2 C1 C9a C4a . . . .  -.25(18) no
    C2 C1 C9a C9 . . . . -177.8(4) no
    C1 C2 C3 C4 . . . .  -.69(18) no
    C2 C3 C4 C4a . . . .  .08(18) no
    C3 C4 C4a C9a . . . .  .44(18) no
    C3 C4 C4a C10 . . . . 177.6(4) no
    C4 C4a C9a C1 . . . .  -.35(18) no
    C4 C4a C9a C9 . . . . 177.5(4) no
    C10 C4a C9a C1 . . . . -177.9(4) no
    C10 C4a C9a C9 . . . .  -.06(15) no
    C4 C4a C10 C10a . . . . 129.1(3) no
    C4 C4a C10 C16 . . . . -116.1(3) no
    C9a C4a C10 C10a . . . . -53.5(2) no
    C9a C4a C10 C16 . . . . 61.3(2) no
    C10a C5 C6 C7 . . . . 1.21(18) no
    C6 C5 C10a C8a . . . .  -.10(18) no
    C6 C5 C10a C10 . . . . -178.3(4) no
    C5 C6 C7 C8 . . . .  -.26(18) no
    C6 C7 C8 C8a . . . . -1.83(18) no
    C7 C8 C8a C9 . . . . 178.8(4) no
    C7 C8 C8a C10a . . . . 2.91(18) no
    C8 C8a C9 C9a . . . . 131.9(3) no
    C8 C8a C9 C11 . . . . -116.9(3) no
    C8 C8a C9 C17 . . . . 9.36(16) no
    C10a C8a C9 C9a . . . . -52.0(2) no
    C10a C8a C9 C11 . . . . 59.2(2) no
    C10a C8a C9 C17 . . . . -174.5(3) no
    C8 C8a C10a C5 . . . . -1.96(18) no
    C8 C8a C10a C10 . . . . 176.4(3) no
    C9 C8a C10a C5 . . . . -178.4(3) no
    C9 C8a C10a C10 . . . .  -.03(15) no
    C8a C9 C9a C1 . . . . -129.7(3) no
    C8a C9 C9a C4a . . . . 52.7(2) no
    C11 C9 C9a C1 . . . . 119.9(3) no
    C11 C9 C9a C4a . . . . -57.7(2) no
    C17 C9 C9a C1 . . . . -4.44(16) no
    C17 C9 C9a C4a . . . . 177.9(3) no
    C8a C9 C11 C12 . . . . 67.9(2) no
    C8a C9 C11 C16 . . . . -59.1(2) no
    C9a C9 C11 C12 . . . . -180.0(3) no
    C9a C9 C11 C16 . . . . 53.00(19) no
    C17 C9 C11 C12 . . . . -58.4(2) no
    C17 C9 C11 C16 . . . . 174.6(3) no
    C8a C9 C17 C18 . . . . -133.1(3) no
    C8a C9 C17 C22 . . . . 50.8(2) no
    C9a C9 C17 C18 . . . . 106.4(3) no
    C9a C9 C17 C22 . . . . -69.7(2) no
    C11 C9 C17 C18 . . . . -12.48(16) no
    C11 C9 C17 C22 . . . . 171.4(3) no
    C4a C10 C10a C5 . . . . -127.5(3) no
    C4a C10 C10a C8a . . . . 54.2(2) no
    C16 C10 C10a C5 . . . . 118.3(3) no
    C16 C10 C10a C8a . . . . -60.0(2) no
    C4a C10 C16 C11 . . . . -60.7(2) no
    C4a C10 C16 C15 . . . . 172.3(3) no
    C10a C10 C16 C11 . . . . 55.0(2) no
    C10a C10 C16 C15 . . . . -72.0(2) no
    C9 C11 C12 C13 . . . . -153.8(4) no
    C16 C11 C12 C13 . . . . -27.59(19) no
    C9 C11 C16 C10 . . . . 3.35(14) no
    C9 C11 C16 C15 . . . . 128.2(3) no
    C12 C11 C16 C10 . . . . -124.3(3) no
    C12 C11 C16 C15 . . . .  .59(16) no
    C11 C12 C13 C14 . . . . 9.18(17) no
    C12 C13 C14 C15 . . . . 34.6(2) no
    C13 C14 C15 C16 . . . . -58.5(2) no
    C14 C15 C16 C10 . . . . 165.0(4) no
    C14 C15 C16 C11 . . . . 41.3(2) no
    C9 C17 C18 C19 . . . . -178.3(4) no
    C22 C17 C18 C19 . . . . -2.11(18) no
    C9 C17 C22 C21 . . . . 177.8(4) no
    C18 C17 C22 C21 . . . . 1.47(18) no
    C17 C18 C19 C20 . . . .  .96(18) no
    C18 C19 C20 C21 . . . .  .92(18) no
    C19 C20 C21 C22 . . . . -1.56(18) no
    C20 C21 C22 C17 . . . .  .35(18) no
data_(II)
_chemical_name_systematic
;
 cis-9-Phenyl-1,2,3,4,4a,9,9a,10-octahydro-9,10[1',2']benzenoanthracene
;
_chemical_name_common     '9-phenyl-1,2,3,4,4a,9a-hexahydrotriptycene'
_chemical_formula_moiety     'C26 H24 '
_chemical_formula_sum     'C26 H24 '
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_weight     336.47
_symmetry_cell_setting     Triclinic
_symmetry_space_group_name_H-M     'P -1'
loop_
    _symmetry_equiv_pos_as_xyz
    x,y,z
    -x,-y,-z
_cell_length_a     9.2213(6)
_cell_length_b     9.8777(10)
_cell_length_c     10.7390(8)
_cell_angle_alpha     90.738(8)
_cell_angle_beta     107.829(6)
_cell_angle_gamma     104.052(7)
_cell_volume     899.28(13)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     8.4
_cell_measurement_theta_max     17.6
_cell_measurement_temperature     293
_exptl_crystal_description     'needle'
_exptl_crystal_colour     'colorless'
_exptl_crystal_size_max      .30
_exptl_crystal_size_mid      .30
_exptl_crystal_size_min      .30
_exptl_crystal_size_rad     ?
_exptl_crystal_density_diffrn     1.243
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     360.10
_exptl_absorpt_coefficient_mu      .07
_exptl_absorpt_correction_type     none
_exptl_absorpt_correction_T_min     1.0000
_exptl_absorpt_correction_T_max     1.0000
_exptl_special_details
;
 ?  #Insert any special details here.
;
_diffrn_ambient_temperature     293
_diffrn_radiation_type     'Molybdenum K\a'
_diffrn_radiation_wavelength      .70930
_diffrn_radiation_source     'xray tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device     'Nonius CAD-4'
_diffrn_measurement_method     'ω scan b/P/b'
_diffrn_reflns_number     3334
_diffrn_reflns_av_R_equivalents      .014
_diffrn_reflns_av_sigmaI/netI     ?
_diffrn_reflns_theta_min     2.00
_diffrn_reflns_theta_max     25.0
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -12
_diffrn_reflns_limit_l_max     12
_diffrn_reflns_reduction_process     ?
_diffrn_standards_number     3
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     120
_diffrn_standards_decay_%     1.5
loop_
    _diffrn_standard_refln_index_h
    _diffrn_standard_refln_index_k
    _diffrn_standard_refln_index_l
    -3 -3 6
    2 -5 0
    2 -4 3
_reflns_number_total     3147
_reflns_number_gt     2444
_reflns_threshold_expression     'Inet > 2.0σ(Inet)'
_refine_ls_structure_factor_coef     F
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .042
_refine_ls_R_factor_gt      .041
_refine_ls_wR_factor_all      .044
_refine_ls_wR_factor_ref      .044
_refine_ls_goodness_of_fit_all     ?
_refine_ls_goodness_of_fit_ref     1.94
_refine_ls_restrained_S_all     ?
_refine_ls_restrained_S_obs     ?
_refine_ls_number_reflns     2442
_refine_ls_number_parameters     236
_refine_ls_number_restraints     ?
_refine_ls_number_constraints     ?
_refine_ls_hydrogen_treatment     noref
_refine_ls_weighting_scheme     '1/[\s^2^(F)+0.0002F^2^]'
_refine_ls_shift/su_max      .000
_refine_ls_shift/esd_mean     ?
_refine_diff_density_max      .15
_refine_diff_density_min      -.17
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_extinction_coef      .57(7)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    C ?  .002  .002 'International Tables Vol. IV Table 2.2B'
    H ?  .000  .000 'International Tables Vol. IV Table 2.2B'
_computing_data_collection     'CAD-4-PC (Enraf-Nonius, 1993)'
_computing_cell_refinement     'SET4 and CELDIM in CAD-4-PC'
_computing_data_reduction     'DATRD2 in NRCVAX (Gabe et al., 1989)'
_computing_structure_solution     'SOLVER in NRCVAX'
_computing_structure_refinement     'LSTSQ in NRCVAX'
_computing_molecular_graphics     'NRCVAX'
_computing_publication_material     'TABLES in NRCVAX (January 94 version)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_type_symbol
    C1  .66684(19)  .78197(17)  .02077(16)  .0381(11) Uij ? . C
    C2  .8285(2)  .81943(19)  .04288(18)  .0458(11) Uij ? . C
    C3  .8879(2)  .82325(19)  -.06063(19)  .0488(11) Uij ? . C
    C4  .7860(2)  .79172(19)  -.18781(18)  .0429(11) Uij ? . C
    C4a  .62543(18)  .75632(16)  -.21079(16)  .0350(9) Uij ? . C
    C5  .34505(2)  .88662(18)  -.45824(17)  .0432(11) Uij ? . C
    C6  .2390(2)  .96387(19)  -.45991(19)  .0523(12) Uij ? . C
    C7  .1731(2)  .95932(19)  -.3605(2)    .0513(12) Uij ? . C
    C8  .2139(2)  .87746(18)  -.25780(18)  .0422(11) Uij ? . C
    C8a  .32483(18)  .80348(16)  -.25194(16)  .0342(9) Uij ? . C
    C9  .38185(18)  .70552(16)  -.14901(15)  .0317(9) Uij ? . C
    C9a  .56357(18)  .75029(16)  -.10652(16)  .0325(10) Uij ? . C
    C10  .50039(19)  .71614(17)  -.34281(16)  .0371(10) Uij ? . C
    C10a  .38867(18)  .80692(16)  -.35502(16)  .0363(10) Uij ? . C
    C11  .32988(19)  .55663(16)  -.22954(15)  .0338(9) Uij ? . C
    C12  .15118(19)  .50022(18)  -.28968(17)  .0419(10) Uij ? . C
    C13  .1079(2)  .35693(19)  -.36541(18)  .0502(11) Uij ? . C
    C14  .1970(2)  .35330(19)  -.46305(19)  .0531(12) Uij ? . C
    C15  .2932(2)  .49818(19)  -.47310(17)  .0431(10) Uij ? . C
    C16  .41032(19)  .56257(17)  -.33911(16)  .0361(9) Uij ? . C
    C17  .32604(18)  .70707(16)  -.02911(15)  .0331(9) Uij ? . C
    C18  .2687(2)  .58597(18)  .02368(17)  .0421(10) Uij ? . C
    C19  .2249(2)  .59227(19)  .13564(18)  .0508(12) Uij ? . C
    C20  .2406(2)  .7187(2)    .19886(18)  .0523(12) Uij ? . C
    C21  .3013(2)  .84058(19)  .15060(18)  .0484(11) Uij ? . C
    C22  .3436(2)  .83423(17)  .03818(17)  .0400(10) Uij ? . C
    H1  .624  .781  .096  .038 Uiso ? . H
    H2  .902  .842  .134  .060 Uiso ? . H
    H3 1.000  .846  -.044  .053 Uiso ? . H
    H4  .829  .795  -.262  .048 Uiso ? . H
    H5  .390  .887  -.532  .049 Uiso ? . H
    H6  .209 1.023  -.532  .066 Uiso ? . H
    H7  .094 1.012  -.363  .067 Uiso ? . H
    H8  .167  .877  -.188  .042 Uiso ? . H
    H10  .547  .724  -.417  .036 Uiso ? . H
    H11  .371  .488  -.165  .036 Uiso ? . H
    H12A  .110  .570  -.349  .049 Uiso ? . H
    H12B  .096  .495  -.221  .040 Uiso ? . H
    H13A  -.009  .329  -.411  .070 Uiso ? . H
    H13B  .131  .287  -.301  .087 Uiso ? . H
    H14A  .123  .311  -.551  .083 Uiso ? . H
    H14B  .271  .293  -.432  .073 Uiso ? . H
    H15A  .223  .560  -.509  .050 Uiso ? . H
    H15B  .353  .492  -.535  .043 Uiso ? . H
    H16  .490  .505  -.312  .041 Uiso ? . H
    H18  .261  .496  -.016  .044 Uiso ? . H
    H19  .185  .506  .171  .056 Uiso ? . H
    H20  .205  .726  .277  .066 Uiso ? . H
    H21  .316  .931  .194  .053 Uiso ? . H
    H22  .386  .922  .006  .045 Uiso ? . H
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 C2 . . 1.389(2) no
    C1 C9a . . 1.386(2) no
    C1 H1 . . 1.00 no
    C2 C3 . . 1.378(3) no
    C2 H2 . .  .99 no
    C3 C4 . . 1.381(3) no
    C3 H3 . .  .96 no
    C4 C4a . . 1.378(2) no
    C4 H4 . .  .98 no
    C4a C9a . . 1.400(2) no
    C4a C10 . . 1.503(2) yes
    C5 C6 . . 1.374(3) no
    C5 C10a . . 1.384(2) no
    C5 H5 . . 1.00 no
    C6 C7 . . 1.377(3) no
    C6 H6 . .  .99 no
    C7 C8 . . 1.389(3) no
    C7 H7 . .  .98 no
    C8 C8a . . 1.382(2) no
    C8 H8 . .  .97 no
    C8a C9 . . 1.534(2) yes
    C8a C10a . . 1.401(2) no
    C9 C9a . . 1.542(2) yes
    C9 C11 . . 1.585(2) yes
    C9 C17 . . 1.527(2) yes
    C10 C10a . . 1.500(2) yes
    C10 C16 . . 1.550(2) yes
    C10 H10 . . 1.01 no
    C11 C12 . . 1.528(2) yes
    C11 C16 . . 1.566(2) yes
    C11 H11 . . 1.03 no
    C12 C13 . . 1.524(2) yes
    C12 H12A . . 1.01 no
    C12 H12B . . 1.01 no
    C13 C14 . . 1.522(3) yes
    C13 H13A . . 1.01 no
    C13 H13B . .  .99 no
    C14 C15 . . 1.514(3) yes
    C14 H14A . . 1.00 no
    C14 H14B . . 1.00 no
    C15 C16 . . 1.527(2) yes
    C15 H15A . .  .99 no
    C15 H15B . . 1.00 no
    C16 H16 . . 1.01 no
    C17 C18 . . 1.388(2) no
    C17 C22 . . 1.390(2) no
    C18 C19 . . 1.386(2) no
    C18 H18 . .  .96 no
    C19 C20 . . 1.368(3) no
    C19 H19 . .  .98 no
    C20 C21 . . 1.378(3) no
    C20 H20 . . 1.00 no
    C21 C22 . . 1.383(2) no
    C21 H21 . .  .96 no
    C22 H22 . .  .98 no
loop_
    _geom_contact_atom_site_label_1
    _geom_contact_atom_site_label_2
    _geom_contact_distance
    _geom_contact_site_symmetry_1
    _geom_contact_site_symmetry_2
    _geom_contact_publ_flag
    ? ? ? ? ? ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 C1 C9a . . . 119.94(15) no
    C2 C1 H1 . . . 120.7 no
    C9a C1 H1 . . . 119.3 no
    C1 C2 C3 . . . 120.65(16) no
    C1 C2 H2 . . . 119.5 no
    C3 C2 H2 . . . 119.8 no
    C2 C3 C4 . . . 119.87(15) no
    C2 C3 H3 . . . 119.8 no
    C4 C3 H3 . . . 120.3 no
    C3 C4 C4a . . . 119.89(16) no
    C3 C4 H4 . . . 119.7 no
    C4a C4 H4 . . . 120.4 no
    C4 C4a C9a . . . 120.84(15) yes
    C4 C4a C10 . . . 126.02(15) yes
    C9a C4a C10 . . . 113.10(13) yes
    C6 C5 C10a . . . 120.10(16) no
    C6 C5 H5 . . . 120.3 no
    C10a C5 H5 . . . 119.6 no
    C5 C6 C7 . . . 120.05(16) no
    C5 C6 H6 . . . 120.9 no
    C7 C6 H6 . . . 119.1 no
    C6 C7 C8 . . . 120.26(17) no
    C6 C7 H7 . . . 120.4 no
    C8 C7 H7 . . . 119.3 no
    C7 C8 C8a . . . 120.41(16) no
    C7 C8 H8 . . . 118.8 no
    C8a C8 H8 . . . 120.7 no
    C8 C8a C9 . . . 127.93(14) yes
    C8 C8a C10a . . . 118.66(15) yes
    C9 C8a C10a . . . 113.24(13) yes
    C8a C9 C9a . . . 106.04(12) yes
    C8a C9 C11 . . . 104.34(12) yes
    C8a C9 C17 . . . 115.20(12) yes
    C9a C9 C11 . . . 106.01(12) yes
    C9a C9 C17 . . . 110.25(13) yes
    C11 C9 C17 . . . 114.25(12) yes
    C1 C9a C4a . . . 118.81(14) yes
    C1 C9a C9 . . . 126.94(14) yes
    C4a C9a C9 . . . 114.25(14) yes
    C4a C10 C10a . . . 107.87(13) yes
    C4a C10 C16 . . . 105.55(13) yes
    C4a C10 H10 . . . 112.2 no
    C10a C10 C16 . . . 108.35(13) yes
    C10a C10 H10 . . . 111.9 no
    C16 C10 H10 . . . 110.7 no
    C5 C10a C8a . . . 120.44(15) yes
    C5 C10a C10 . . . 125.31(15) yes
    C8a C10a C10 . . . 114.24(14) yes
    C9 C11 C12 . . . 113.48(13) yes
    C9 C11 C16 . . . 110.01(12) yes
    C9 C11 H11 . . . 107.2 no
    C12 C11 C16 . . . 110.19(13) yes
    C12 C11 H11 . . . 108.4 no
    C16 C11 H11 . . . 107.4 no
    C11 C12 C13 . . . 111.27(14) yes
    C11 C12 H12A . . . 108.1 no
    C11 C12 H12B . . . 112.0 no
    C13 C12 H12A . . . 110.9 no
    C13 C12 H12B . . . 109.9 no
    H12A C12 H12B . . . 104.5 no
    C12 C13 C14 . . . 113.13(14) yes
    C12 C13 H13A . . . 108.3 no
    C12 C13 H13B . . . 108.2 no
    C14 C13 H13A . . . 111.2 no
    C14 C13 H13B . . . 109.1 no
    H13A C13 H13B . . . 106.7 no
    C13 C14 C15 . . . 111.48(14) yes
    C13 C14 H14A . . . 110.6 no
    C13 C14 H14B . . . 108.4 no
    C15 C14 H14A . . . 110.3 no
    C15 C14 H14B . . . 108.1 no
    H14A C14 H14B . . . 107.9 no
    C14 C15 C16 . . . 110.77(15) yes
    C14 C15 H15A . . . 110.7 no
    C14 C15 H15B . . . 109.6 no
    C16 C15 H15A . . . 109.9 no
    C16 C15 H15B . . . 108.6 no
    H15A C15 H15B . . . 107.1 no
    C10 C16 C11 . . . 109.19(12) yes
    C10 C16 C15 . . . 112.30(14) yes
    C10 C16 H16 . . . 108.4 no
    C11 C16 C15 . . . 112.45(13) yes
    C11 C16 H16 . . . 106.4 no
    C15 C16 H16 . . . 107.9 no
    C9 C17 C18 . . . 122.99(14) no
    C9 C17 C22 . . . 119.69(14) no
    C18 C17 C22 . . . 117.12(14) no
    C17 C18 C19 . . . 121.13(15) no
    C17 C18 H18 . . . 120.2 no
    C19 C18 H18 . . . 118.6 no
    C18 C19 C20 . . . 120.66(16) no
    C18 C19 H19 . . . 119.7 no
    C20 C19 H19 . . . 119.6 no
    C19 C20 C21 . . . 119.38(16) no
    C19 C20 H20 . . . 121.9 no
    C21 C20 H20 . . . 118.6 no
    C20 C21 C22 . . . 119.92(16) no
    C20 C21 H21 . . . 121.5 no
    C22 C21 H21 . . . 118.6 no
    C17 C22 C21 . . . 121.72(15) no
    C17 C22 H22 . . . 119.7 no
    C21 C22 H22 . . . 118.6 no
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C9a C1 C2 C3 . . . . -1.09(14) no
    C2 C1 C9a C9 . . . . 179.3(3) no
    C2 C3 C4 C4a . . . .  -.12(14) no
    C3 C4 C4a C10 . . . . -178.4(3) no
    C4 C4a C9a C9 . . . . -178.6(3) no
    C10 C4a C9a C9 . . . .  -.57(12) no
    C4 C4a C10 C16 . . . . 116.7(3) no
    C9a C4a C10 C16 . . . . -61.13(18) no
    C6 C5 C10a C8a . . . .  .41(15) no
    C5 C6 C7 C8 . . . .  .38(15) no
    C7 C8 C8a C9 . . . . -178.4(3) no
    C8 C8a C9 C9a . . . . -131.7(3) no
    C8 C8a C9 C17 . . . . -9.45(14) no
    C10a C8a C9 C11 . . . . -58.63(17) no
    C8 C8a C10a C5 . . . . 2.08(15) no
    C9 C8a C10a C5 . . . . 177.8(3) no
    C8a C9 C9a C1 . . . . 128.2(3) no
    C11 C9 C9a C1 . . . . -121.3(3)   no
    C17 C9 C9a C1 . . . . 2.87(13) no
    C8a C9 C11 C12 . . . . -63.59(18) no
    C9a C9 C11 C12 . . . . -175.3(3) no
    C17 C9 C11 C12 . . . . 63.09(18) no
    C8a C9 C17 C18 . . . . 135.5(3) no
    C9a C9 C17 C18 . . . . -104.6(2)   no
    C11 C9 C17 C18 . . . . 14.70(14) no
    C4a C10 C10a C5 . . . . 127.3(3) no
    C16 C10 C10a C5 . . . . -118.9(3) no
    C4a C10 C16 C11 . . . . 62.58(18) no
    C10a C10 C16 C11 . . . . -52.76(16) no
    C9 C11 C12 C13 . . . . -179.8(3) no
    C9 C11 C16 C10 . . . . -6.05(12) no
    C12 C11 C16 C10 . . . . 119.8(2)   no
    C11 C12 C13 C14 . . . . -50.58(18) no
    C13 C14 C15 C16 . . . . 58.09(19) no
    C14 C15 C16 C11 . . . . -51.16(17) no
    C22 C17 C18 C19 . . . . 2.59(15) no
    C18 C17 C22 C21 . . . . -2.00(15) no
    C18 C19 C20 C21 . . . .  -.33(15) no
    C20 C21 C22 C17 . . . .  .26(15) no
    C2 C1 C9a C4a . . . .  .27(14) no
    C1 C2 C3 C4 . . . . 1.01(14) no
    C3 C4 C4a C9a . . . .  -.71(14) no
    C4 C4a C9a C1 . . . .  .63(14) no
    C10 C4a C9a C1 . . . . 178.6(3) no
    C4 C4a C10 C10a . . . . -127.6(3) no
    C9a C4a C10 C10a . . . . 54.54(17) no
    C10a C5 C6 C7 . . . . -1.65(15) no
    C6 C5 C10a C10 . . . . 178.8(3) no
    C6 C7 C8 C8a . . . . 2.16(15) no
    C7 C8 C8a C10a . . . . -3.35(15) no
    C8 C8a C9 C11 . . . . 116.6(3)   no
    C10a C8a C9 C9a . . . . 53.07(17) no
    C10a C8a C9 C17 . . . . 175.3(3) no
    C8 C8a C10a C10 . . . . -176.5(3) no
    C9 C8a C10a C10 . . . .  -.71(12) no
    C8a C9 C9a C4a . . . . -52.70(17) no
    C11 C9 C9a C4a . . . . 57.82(17) no
    C17 C9 C9a C4a . . . . -178.0(3) no
    C8a C9 C11 C16 . . . . 60.37(17) no
    C9a C9 C11 C16 . . . . -51.34(16) no
    C17 C9 C11 C16 . . . . -173.0(3) no
    C8a C9 C17 C22 . . . . -49.71(17) no
    C9a C9 C17 C22 . . . . 70.22(19) no
    C11 C9 C17 C22 . . . . -170.5(3) no
    C4a C10 C10a C8a . . . . -54.23(17) no
    C16 C10 C10a C8a . . . . 59.58(18) no
    C4a C10 C16 C15 . . . . -172.0(3) no
    C10a C10 C16 C15 . . . . 72.7(2)   no
    C16 C11 C12 C13 . . . . 56.34(18) no
    C9 C11 C16 C15 . . . . -131.4(3)   no
    C12 C11 C16 C15 . . . . -5.54(13) no
    C12 C13 C14 C15 . . . . -6.89(13) no
    C14 C15 C16 C10 . . . . -174.8(3) no
    C9 C17 C18 C19 . . . . 177.5(3) no
    C9 C17 C22 C21 . . . . -177.1(3) no
    C17 C18 C19 C20 . . . . -1.49(15) no
    C19 C20 C21 C22 . . . .  .94(15) no
