##############################################################################
###                                                                        ###
###           Full Paper (Acta Crystallographica Section C)                ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 9-(n-dodecylaminomethyl)anthracene
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H37 N'
_chemical_formula_sum     'C27 H37 N'
_chemical_formula_weight     375.58
_chemical_melting_point     ?
_symmetry_cell_setting     'orthorhombic'
_symmetry_space_group_name_H-M     Pccn
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y+1/2, z'
    'x+1/2, -y, -z+1/2'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, y-1/2, -z'
    '-x-1/2, y, z-1/2'
    'x, -y-1/2, z-1/2'
_cell_length_a     17.760(9)
_cell_length_b     32.336(11)
_cell_length_c     7.9664(6)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     4575(3)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     11.52
_cell_measurement_theta_max     21.87
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     'translucent pale yellow'
_exptl_crystal_size_max      .51
_exptl_crystal_size_mid      .34
_exptl_crystal_size_min      .25
_exptl_crystal_density_diffrn     1.091
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1648
_exptl_absorpt_coefficient_mu      .459
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     'Cu K\a'
_diffrn_radiation_wavelength     1.54056
_diffrn_radiation_source     'rotating anode generator'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf-Nonius CAD-4 diffractometer'
_diffrn_measurement_method     'profile data from ω-θ scans'
_diffrn_reflns_number     4111
_diffrn_reflns_av_R_equivalents      .0494
_diffrn_reflns_av_sigmaI/netI      .0152
_diffrn_reflns_theta_min     4.80
_diffrn_reflns_theta_max     67.26
_diffrn_reflns_theta_full     67.26
_diffrn_measured_fraction_theta_max      .998
_diffrn_measured_fraction_theta_full      .998
_diffrn_reflns_limit_h_min     -2
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -4
_diffrn_reflns_limit_k_max     38
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     9
_diffrn_standards_number     2
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     180
_diffrn_standards_decay_%     2
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     4103
_reflns_number_gt     3069
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all      .0792
_refine_ls_R_factor_gt      .0556
_refine_ls_wR_factor_ref      .1872
_refine_ls_goodness_of_fit_ref     1.087
_refine_ls_restrained_S_all     1.087
_refine_ls_number_reflns     4108
_refine_ls_number_parameters     258
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.1039P)²+1.0675P] where P=(Fo²+2Fc²)/3'
_refine_ls_shift/su_max      .000
_refine_ls_shift/su_mean      .000
_refine_diff_density_max      .324
_refine_diff_density_min      -.187
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef      .00053(14)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C'  .0181  .0091
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H'  .0000  .0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N'  .0311  .0180
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_cell_refinement     'CAD-4 Software'
_computing_data_reduction     'HELENA (Spek, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1990)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEPII (Johnson, 1976)'
_computing_publication_material     'SHELXL97'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    N12  .11720(10)  .15238(5)  .4914(2)  .0564(4) Uani d . 1 . . N
    H12  .0818(14)  .1707(8)  .442(3)  .085 Uiso d . 1 . . H
    C1  .14969(11)  .17500(6)  .8852(2)  .0548(5) Uani d . 1 . . C
    H1  .1754  .1578  .8113  .066 Uiso calc R 1 . . H
    C2  .18779(12)  .19274(7) 1.0136(3)  .0646(6) Uani d . 1 . . C
    H2  .2391  .1879 1.0258  .077 Uiso calc R 1 . . H
    C3  .14993(13)  .21852(7) 1.1292(3)  .0672(6) Uani d . 1 . . C
    H3  .1763  .2305 1.2176  .081 Uiso calc R 1 . . H
    C4  .07576(13)  .22587(6) 1.1118(2)  .0598(5) Uani d . 1 . . C
    H4  .0514  .2425 1.1901  .072 Uiso calc R 1 . . H
    C4A  .03378(11)  .20879(5)  .9763(2)  .0457(4) Uani d . 1 . . C
    C5  -.15867(11)  .21353(6)  .7887(3)  .0588(5) Uani d . 1 . . C
    H5  -.1827  .2309  .8645  .071 Uiso calc R 1 . . H
    C6  -.19728(12)  .19881(7)  .6556(3)  .0677(6) Uani d . 1 . . C
    H6  -.2477  .2057  .6414  .081 Uiso calc R 1 . . H
    C7  -.16124(13)  .17312(7)  .5387(3)  .0678(6) Uani d . 1 . . C
    H7  -.1879  .1635  .4461  .081 Uiso calc R 1 . . H
    C8  -.08833(12)  .16207(6)  .5582(3)  .0585(5) Uani d . 1 . . C
    H8  -.0659  .1450  .4785  .070 Uiso calc R 1 . . H
    C8A  -.04489(10)  .17590(5)  .6984(2)  .0453(4) Uani d . 1 . . C
    C9  .03062(10)  .16442(5)  .7260(2)  .0460(4) Uani d . 1 . . C
    C9A  .07136(10)  .18191(5)  .8600(2)  .0442(4) Uani d . 1 . . C
    C10  -.04173(11)  .21816(5)  .9515(2)  .0504(5) Uani d . 1 . . C
    H10  -.0662  .2351 1.0284  .060 Uiso calc R 1 . . H
    C10A  -.08156(10)  .20290(5)  .8152(2)  .0462(4) Uani d . 1 . . C
    C11  .06876(11)  .13273(5)  .6135(2)  .0518(5) Uani d . 1 . . C
    H11A  .0983  .1140  .6819  .062 Uiso calc R 1 . . H
    H11B  .0307  .1166  .5556  .062 Uiso calc R 1 . . H
    C13  .15351(11)  .12255(7)  .3788(3)  .0596(5) Uani d . 1 . . C
    H13A  .1791  .1021  .4472  .072 Uiso calc R 1 . . H
    H13B  .1917  .1371  .3148  .072 Uiso calc R 1 . . H
    C14  .10276(10)  .09979(6)  .2557(2)  .0539(5) Uani d . 1 . . C
    H14A  .0680  .0824  .3177  .065 Uiso calc R 1 . . H
    H14B  .0734  .1198  .1928  .065 Uiso calc R 1 . . H
    C15  .14756(11)  .07328(6)  .1345(2)  .0531(5) Uani d . 1 . . C
    H15A  .1860  .0903  .0825  .064 Uiso calc R 1 . . H
    H15B  .1728  .0517  .1974  .064 Uiso calc R 1 . . H
    C16  .10052(10)  .05344(6)  -.0022(2)  .0504(4) Uani d . 1 . . C
    H16A  .0712  .0747  -.0577  .061 Uiso calc R 1 . . H
    H16B  .0656  .0341  .0490  .061 Uiso calc R 1 . . H
    C17  .14694(10)  .03063(6)  -.1329(2)  .0539(5) Uani d . 1 . . C
    H17A  .1832  .0497  -.1809  .065 Uiso calc R 1 . . H
    H17B  .1749  .0088  -.0777  .065 Uiso calc R 1 . . H
    C18  .10071(10)  .01187(6)  -.2738(2)  .0520(5) Uani d . 1 . . C
    H18A  .0652  -.0077  -.2262  .062 Uiso calc R 1 . . H
    H18B  .0720  .0336  -.3279  .062 Uiso calc R 1 . . H
    C19  .14785(11)  -.01014(7)  -.4051(3)  .0577(5) Uani d . 1 . . C
    H19A  .1845  .0092  -.4496  .069 Uiso calc R 1 . . H
    H19B  .1754  -.0324  -.3511  .069 Uiso calc R 1 . . H
    C20  .10311(10)  -.02803(6)  -.5500(2)  .0534(5) Uani d . 1 . . C
    H20A  .0657  -.0469  -.5057  .064 Uiso calc R 1 . . H
    H20B  .0766  -.0058  -.6063  .064 Uiso calc R 1 . . H
    C21  .15080(10)  -.05078(6)  -.6776(3)  .0565(5) Uani d . 1 . . C
    H21A  .1760  -.0736  -.6215  .068 Uiso calc R 1 . . H
    H21B  .1894  -.0321  -.7183  .068 Uiso calc R 1 . . H
    C22  .10797(10)  -.06775(6)  -.8270(2)  .0513(5) Uani d . 1 . . C
    H22A  .0672  -.0851  -.7866  .062 Uiso calc R 1 . . H
    H22B  .0858  -.0449  -.8883  .062 Uiso calc R 1 . . H
    C23  .15623(13)  -.09268(7)  -.9454(3)  .0687(6) Uani d . 1 . . C
    H23A  .1783  -.1156  -.8839  .082 Uiso calc R 1 . . H
    H23B  .1971  -.0754  -.9851  .082 Uiso calc R 1 . . H
    C24  .11417(17)  -.10973(8) -1.0959(3)  .0855(8) Uani d . 1 . . C
    H24A  .0743  -.1275 -1.0581  .128 Uiso calc R 1 . . H
    H24B  .1482  -.1252 -1.1651  .128 Uiso calc R 1 . . H
    H24C  .0934  -.0873 -1.1597  .128 Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    N12 C11 . 1.446(2) ?
    N12 C13 . 1.467(2) ?
    N12 H12 .  .95(3) ?
    C1 C2 . 1.354(3) ?
    C1 C9A . 1.423(3) ?
    C1 H1 .  .9300 ?
    C2 C3 . 1.412(3) ?
    C2 H2 .  .9300 ?
    C3 C4 . 1.346(3) ?
    C3 H3 .  .9300 ?
    C4 C4A . 1.424(3) ?
    C4 H4 .  .9300 ?
    C4A C10 . 1.389(3) ?
    C4A C9A . 1.435(2) ?
    C5 C6 . 1.349(3) ?
    C5 C10A . 1.428(3) ?
    C5 H5 .  .9300 ?
    C6 C7 . 1.403(3) ?
    C6 H6 .  .9300 ?
    C7 C8 . 1.352(3) ?
    C7 H7 .  .9300 ?
    C8 C8A . 1.429(3) ?
    C8 H8 .  .9300 ?
    C8A C9 . 1.409(3) yes
    C8A C10A . 1.432(2) ?
    C9 C9A . 1.408(2) yes
    C9 C11 . 1.521(2) yes
    C10 C10A . 1.387(3) ?
    C10 H10 .  .9300 ?
    C11 H11A .  .9700 ?
    C11 H11B .  .9700 ?
    C13 C14 . 1.521(3) ?
    C13 H13A .  .9700 ?
    C13 H13B .  .9700 ?
    C14 C15 . 1.517(2) ?
    C14 H14A .  .9700 ?
    C14 H14B .  .9700 ?
    C15 C16 . 1.515(2) ?
    C15 H15A .  .9700 ?
    C15 H15B .  .9700 ?
    C16 C17 . 1.519(2) ?
    C16 H16A .  .9700 ?
    C16 H16B .  .9700 ?
    C17 C18 . 1.517(3) ?
    C17 H17A .  .9700 ?
    C17 H17B .  .9700 ?
    C18 C19 . 1.517(3) ?
    C18 H18A .  .9700 ?
    C18 H18B .  .9700 ?
    C19 C20 . 1.516(3) ?
    C19 H19A .  .9700 ?
    C19 H19B .  .9700 ?
    C20 C21 . 1.514(2) ?
    C20 H20A .  .9700 ?
    C20 H20B .  .9700 ?
    C21 C22 . 1.515(3) ?
    C21 H21A .  .9700 ?
    C21 H21B .  .9700 ?
    C22 C23 . 1.508(3) ?
    C22 H22A .  .9700 ?
    C22 H22B .  .9700 ?
    C23 C24 . 1.516(3) ?
    C23 H23A .  .9700 ?
    C23 H23B .  .9700 ?
    C24 H24A .  .9600 ?
    C24 H24B .  .9600 ?
    C24 H24C .  .9600 ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    C11 N12 C13 . . 112.59(16) yes
    C11 N12 H12 . . 99.2(15) ?
    C13 N12 H12 . . 116.4(16) ?
    C2 C1 C9A . . 121.89(18) ?
    C2 C1 H1 . . 119.1 ?
    C9A C1 H1 . . 119.1 ?
    C1 C2 C3 . . 120.30(19) ?
    C1 C2 H2 . . 119.8 ?
    C3 C2 H2 . . 119.8 ?
    C4 C3 C2 . . 120.23(19) ?
    C4 C3 H3 . . 119.9 ?
    C2 C3 H3 . . 119.9 ?
    C3 C4 C4A . . 121.47(19) ?
    C3 C4 H4 . . 119.3 ?
    C4A C4 H4 . . 119.3 ?
    C10 C4A C4 . . 121.90(17) ?
    C10 C4A C9A . . 119.33(16) ?
    C4 C4A C9A . . 118.75(17) ?
    C6 C5 C10A . . 121.3(2) ?
    C6 C5 H5 . . 119.4 ?
    C10A C5 H5 . . 119.4 ?
    C5 C6 C7 . . 119.9(2) ?
    C5 C6 H6 . . 120.0 ?
    C7 C6 H6 . . 120.0 ?
    C8 C7 C6 . . 121.1(2) ?
    C8 C7 H7 . . 119.4 ?
    C6 C7 H7 . . 119.4 ?
    C7 C8 C8A . . 121.6(2) ?
    C7 C8 H8 . . 119.2 ?
    C8A C8 H8 . . 119.2 ?
    C9 C8A C8 . . 123.59(17) ?
    C9 C8A C10A . . 119.48(16) ?
    C8 C8A C10A . . 116.93(17) ?
    C9A C9 C8A . . 120.10(15) yes
    C9A C9 C11 . . 119.25(16) yes
    C8A C9 C11 . . 120.64(16) ?
    C9 C9A C1 . . 123.09(16) ?
    C9 C9A C4A . . 119.58(16) ?
    C1 C9A C4A . . 117.32(16) ?
    C10A C10 C4A . . 121.73(16) ?
    C10A C10 H10 . . 119.1 ?
    C4A C10 H10 . . 119.1 ?
    C10 C10A C5 . . 121.31(17) ?
    C10 C10A C8A . . 119.57(17) ?
    C5 C10A C8A . . 119.12(18) ?
    N12 C11 C9 . . 111.44(14) ?
    N12 C11 H11A . . 109.3 ?
    C9 C11 H11A . . 109.3 ?
    N12 C11 H11B . . 109.3 ?
    C9 C11 H11B . . 109.3 ?
    H11A C11 H11B . . 108.0 ?
    N12 C13 C14 . . 116.86(16) ?
    N12 C13 H13A . . 108.1 ?
    C14 C13 H13A . . 108.1 ?
    N12 C13 H13B . . 108.1 ?
    C14 C13 H13B . . 108.1 ?
    H13A C13 H13B . . 107.3 ?
    C15 C14 C13 . . 111.89(15) ?
    C15 C14 H14A . . 109.2 ?
    C13 C14 H14A . . 109.2 ?
    C15 C14 H14B . . 109.2 ?
    C13 C14 H14B . . 109.2 ?
    H14A C14 H14B . . 107.9 ?
    C16 C15 C14 . . 114.07(16) ?
    C16 C15 H15A . . 108.7 ?
    C14 C15 H15A . . 108.7 ?
    C16 C15 H15B . . 108.7 ?
    C14 C15 H15B . . 108.7 ?
    H15A C15 H15B . . 107.6 ?
    C15 C16 C17 . . 113.52(15) ?
    C15 C16 H16A . . 108.9 ?
    C17 C16 H16A . . 108.9 ?
    C15 C16 H16B . . 108.9 ?
    C17 C16 H16B . . 108.9 ?
    H16A C16 H16B . . 107.7 ?
    C18 C17 C16 . . 114.04(15) ?
    C18 C17 H17A . . 108.7 ?
    C16 C17 H17A . . 108.7 ?
    C18 C17 H17B . . 108.7 ?
    C16 C17 H17B . . 108.7 ?
    H17A C17 H17B . . 107.6 ?
    C19 C18 C17 . . 113.52(16) ?
    C19 C18 H18A . . 108.9 ?
    C17 C18 H18A . . 108.9 ?
    C19 C18 H18B . . 108.9 ?
    C17 C18 H18B . . 108.9 ?
    H18A C18 H18B . . 107.7 ?
    C20 C19 C18 . . 114.51(16) ?
    C20 C19 H19A . . 108.6 ?
    C18 C19 H19A . . 108.6 ?
    C20 C19 H19B . . 108.6 ?
    C18 C19 H19B . . 108.6 ?
    H19A C19 H19B . . 107.6 ?
    C21 C20 C19 . . 113.79(16) ?
    C21 C20 H20A . . 108.8 ?
    C19 C20 H20A . . 108.8 ?
    C21 C20 H20B . . 108.8 ?
    C19 C20 H20B . . 108.8 ?
    H20A C20 H20B . . 107.7 ?
    C20 C21 C22 . . 114.98(16) ?
    C20 C21 H21A . . 108.5 ?
    C22 C21 H21A . . 108.5 ?
    C20 C21 H21B . . 108.5 ?
    C22 C21 H21B . . 108.5 ?
    H21A C21 H21B . . 107.5 ?
    C23 C22 C21 . . 113.55(17) ?
    C23 C22 H22A . . 108.9 ?
    C21 C22 H22A . . 108.9 ?
    C23 C22 H22B . . 108.9 ?
    C21 C22 H22B . . 108.9 ?
    H22A C22 H22B . . 107.7 ?
    C22 C23 C24 . . 114.1(2) ?
    C22 C23 H23A . . 108.7 ?
    C24 C23 H23A . . 108.7 ?
    C22 C23 H23B . . 108.7 ?
    C24 C23 H23B . . 108.7 ?
    H23A C23 H23B . . 107.6 ?
    C23 C24 H24A . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
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 . . . .  .9(3) ?
    C1 C2 C3 C4 . . . .  -.4(3) ?
    C2 C3 C4 C4A . . . . -1.2(3) ?
    C3 C4 C4A C10 . . . . -176.1(2) ?
    C3 C4 C4A C9A . . . . 2.4(3) ?
    C10A C5 C6 C7 . . . . -1.1(3) ?
    C5 C6 C7 C8 . . . . 1.2(3) ?
    C6 C7 C8 C8A . . . .  .1(3) ?
    C7 C8 C8A C9 . . . . 178.48(19) ?
    C7 C8 C8A C10A . . . . -1.5(3) ?
    C8 C8A C9 C9A . . . . 175.05(16) ?
    C10A C8A C9 C9A . . . . -4.9(3) ?
    C8 C8A C9 C11 . . . . -5.7(3) yes
    C10A C8A C9 C11 . . . . 174.30(15) ?
    C8A C9 C9A C1 . . . . -173.44(17) ?
    C11 C9 C9A C1 . . . . 7.3(3) yes
    C8A C9 C9A C4A . . . . 5.2(3) ?
    C11 C9 C9A C4A . . . . -174.08(15) ?
    C2 C1 C9A C9 . . . . 178.93(18) ?
    C2 C1 C9A C4A . . . .  .3(3) ?
    C10 C4A C9A C9 . . . . -2.0(2) ?
    C4 C4A C9A C9 . . . . 179.42(16) ?
    C10 C4A C9A C1 . . . . 176.65(17) ?
    C4 C4A C9A C1 . . . . -1.9(2) ?
    C4 C4A C10 C10A . . . . 177.14(17) ?
    C9A C4A C10 C10A . . . . -1.4(3) ?
    C4A C10 C10A C5 . . . . -178.43(17) ?
    C4A C10 C10A C8A . . . . 1.6(3) ?
    C6 C5 C10A C10 . . . . 179.71(18) ?
    C6 C5 C10A C8A . . . .  -.3(3) ?
    C9 C8A C10A C10 . . . . 1.6(3) ?
    C8 C8A C10A C10 . . . . -178.41(16) ?
    C9 C8A C10A C5 . . . . -178.41(16) ?
    C8 C8A C10A C5 . . . . 1.6(2) ?
    C13 N12 C11 C9 . . . . -178.79(16) yes
    C9A C9 C11 N12 . . . . -79.3(2) yes
    C8A C9 C11 N12 . . . . 101.5(2) yes
    C11 N12 C13 C14 . . . . 68.2(2) ?
    N12 C13 C14 C15 . . . . 174.07(17) ?
    C13 C14 C15 C16 . . . . -173.95(17) ?
    C14 C15 C16 C17 . . . . 174.07(17) ?
    C15 C16 C17 C18 . . . . -178.00(16) ?
    C16 C17 C18 C19 . . . . 178.94(17) ?
    C17 C18 C19 C20 . . . . -178.23(17) ?
    C18 C19 C20 C21 . . . . -178.56(17) ?
    C19 C20 C21 C22 . . . . -178.01(17) ?
    C20 C21 C22 C23 . . . . -176.08(18) ?
    C21 C22 C23 C24 . . . . -179.79(19) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C3 H3 Cg(1) 8_566  .93 3.351 3.984(3) 127.2
    C4 H4 Cg(2) 8_566  .93 2.625 3.518(3) 161.1
    C10 H10 Cg(3) 8_566  .93 2.931 3.806(2) 157.5
    C14 H14B Cg(1) 1_554  .97 3.117 3.860(2) 134.5
    C23 H23A Cg(3) 5_555  .97 3.031 3.798(3) 136.9
    C24 H24A Cg(2) 5_555  .96 2.988 3.877(3) 154.7
data_global
_journal_date_recd_electronic     2000-03-17
_journal_date_accepted     2000-06-13
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2000
_journal_volume     56
_journal_issue      9
_journal_page_first     1136
_journal_page_last     1138
_journal_paper_category     FO
_publ_contact_author_name     'J.A. Paixão'
_publ_contact_author_address
;
     Faculdade Ciencias e Tecnologia
     Departamento de Fisica
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
_publ_contact_author_email     jap@pollux.fis.uc.pt
_publ_contact_author_fax     351-239-829158
_publ_contact_author_phone     351-239-410645
_publ_section_title
;
  C--H...π interactions in 9-(n-dodecylaminomethyl)anthracene
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Ramos Silva, M.' .
;
     CEMDRX
     Departamento de Física
     Faculdade de Ciências e Tecnologia
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
    'Matos Beja, A.' .
;
     CEMDRX
     Departamento de Física
     Faculdade de Ciências e Tecnologia
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
    'Paixao, J. A.' .
;
     CEMDRX
     Departamento de Física
     Faculdade de Ciências e Tecnologia
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
    'Alte da Veiga, L.' .
;
     CEMDRX
     Departamento de Física
     Faculdade de Ciências e Tecnologia
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
    'Sobral, A. J. F. N. ' .
;
     Departamento de Química
     Faculdade de Ciências e Tecnologia
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
    'Rebanda, N. G. C. L. ' .
;
     Departamento de Química
     Faculdade de Ciências e Tecnologia
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
    'Rocha Gonsalves, A. M. dA.' .
;
     Departamento de Química
     Faculdade de Ciências e Tecnologia
     Universidade de Coimbra
     P-3000 Coimbra
     Portugal
;
