##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, 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 2.1.    #
#                                                                            #
# 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     SHELXL97
_chemical_name_systematic
;
25,27-Bis(acryloyloxy)-26,28-dihydroxycalix[4]arene toluene
hemisolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C34 H28 O6, 0.5C7 H8'
_chemical_formula_sum     'C37.5 H32 O6'
_chemical_formula_iupac     'C34 H28 O6, 0.5C7 H8'
_chemical_formula_weight     578.64
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     10.5574(9)
_cell_length_b     12.0375(12)
_cell_length_c     13.5570(12)
_cell_angle_alpha     111.105(7)
_cell_angle_beta     101.460(8)
_cell_angle_gamma     101.413(7)
_cell_volume     1505.3(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     4587
_cell_measurement_theta_min     2.06
_cell_measurement_theta_max     28.07
_cell_measurement_temperature     297(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.277
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     610.0
_exptl_absorpt_coefficient_mu     0.086
_exptl_absorpt_correction_type     integration
_exptl_absorpt_process_details     '(X-RED32; Stoe & Cie, 2002)'
_exptl_absorpt_correction_T_min     0.950
_exptl_absorpt_correction_T_max     0.993
_exptl_special_details
;
;
_diffrn_ambient_temperature     297(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Stoe IPDS II'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     6.67
_diffrn_reflns_number     23943
_diffrn_reflns_av_R_equivalents     0.0755
_diffrn_reflns_av_sigmaI/netI     0.0736
_diffrn_reflns_theta_min     2.24
_diffrn_reflns_theta_max     27.79
_diffrn_reflns_theta_full     27.79
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_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     7061
_reflns_number_gt     3345
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1497
_refine_ls_R_factor_gt     0.0669
_refine_ls_wR_factor_gt     0.1528
_refine_ls_wR_factor_ref     0.1897
_refine_ls_goodness_of_fit_ref     0.984
_refine_ls_restrained_S_all     1.005
_refine_ls_number_reflns     7061
_refine_ls_number_parameters     415
_refine_ls_number_restraints     24
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                'calc w = 1/[σ²(Fo²)+(0.088P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.304
_refine_diff_density_min     -0.479
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_extinction_coef     0.008(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement     'X-AREA'
_computing_data_reduction     'X-RED32 (Stoe & Cie, 2002)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
loop_
    _atom_site_type_symbol
    _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
    C C1 0.4518(3) 0.1542(3) 0.5309(2) 0.0459(7) Uani d . 1 . .
    C C2 0.5654(3) 0.1796(3) 0.4946(3) 0.0464(7) Uani d . 1 . .
    C C3 0.5539(3) 0.1091(3) 0.3852(3) 0.0564(8) Uani d . 1 . .
    H H3 0.6278 0.1238 0.3590 0.068 Uiso calc R 1 . .
    C C4 0.4370(4) 0.0182(3) 0.3142(3) 0.0583(8) Uani d . 1 . .
    H H4 0.4321 -0.0278 0.2411 0.070 Uiso calc R 1 . .
    C C5 0.3269(3) -0.0045(3) 0.3517(3) 0.0553(8) Uani d . 1 . .
    H H5 0.2476 -0.0656 0.3030 0.066 Uiso calc R 1 . .
    C C6 0.3319(3) 0.0616(3) 0.4602(3) 0.0462(7) Uani d . 1 . .
    C C7 0.2101(3) 0.0369(3) 0.5012(3) 0.0516(7) Uani d . 1 . .
    H H7A 0.1458 -0.0425 0.4488 0.062 Uiso calc R 1 . .
    H H7B 0.2388 0.0313 0.5714 0.062 Uiso calc R 1 . .
    C C8 0.1415(3) 0.1384(3) 0.5159(3) 0.0494(7) Uani d . 1 . .
    C C9 0.1484(3) 0.2252(3) 0.6182(3) 0.0482(7) Uani d . 1 . .
    C C10 0.1026(3) 0.3289(3) 0.6341(3) 0.0538(8) Uani d . 1 . .
    C C11 0.0364(3) 0.3383(4) 0.5397(3) 0.0631(9) Uani d . 1 . .
    H H11 0.0024 0.4055 0.5466 0.076 Uiso calc R 1 . .
    C C12 0.0202(3) 0.2503(4) 0.4361(3) 0.0663(10) Uani d . 1 . .
    H H12 -0.0274 0.2568 0.3739 0.080 Uiso calc R 1 . .
    C C13 0.0737(3) 0.1527(3) 0.4236(3) 0.0579(8) Uani d . 1 . .
    H H13 0.0647 0.0953 0.3530 0.069 Uiso calc R 1 . .
    C C14 0.1282(3) 0.4312(3) 0.7471(3) 0.0639(9) Uani d . 1 . .
    H H14A 0.1582 0.4018 0.8030 0.077 Uiso calc R 1 . .
    H H14B 0.0439 0.4492 0.7537 0.077 Uiso calc R 1 . .
    C C15 0.2328(3) 0.5503(3) 0.7697(3) 0.0561(8) Uani d . 1 . .
    C C16 0.3706(3) 0.5574(3) 0.7870(3) 0.0516(7) Uani d . 1 . .
    C C17 0.4677(3) 0.6665(3) 0.8094(3) 0.0530(8) Uani d . 1 . .
    C C18 0.4256(4) 0.7705(3) 0.8167(3) 0.0647(9) Uani d . 1 . .
    H H18 0.4891 0.8448 0.8322 0.078 Uiso calc R 1 . .
    C C19 0.2910(4) 0.7658(4) 0.8015(3) 0.0712(10) Uani d . 1 . .
    H H19 0.2650 0.8370 0.8079 0.085 Uiso calc R 1 . .
    C C20 0.1961(4) 0.6570(3) 0.7770(3) 0.0648(9) Uani d . 1 . .
    H H20 0.1055 0.6542 0.7649 0.078 Uiso calc R 1 . .
    C C21 0.6166(3) 0.6716(3) 0.8272(3) 0.0594(8) Uani d . 1 . .
    H H21A 0.6711 0.7580 0.8583 0.071 Uiso calc R 1 . .
    H H21B 0.6423 0.6376 0.8804 0.071 Uiso calc R 1 . .
    C C22 0.6467(3) 0.6001(3) 0.7214(3) 0.0519(8) Uani d . 1 . .
    C C23 0.6462(3) 0.6443(3) 0.6394(3) 0.0567(8) Uani d . 1 . .
    H H23 0.6314 0.7211 0.6513 0.068 Uiso calc R 1 . .
    C C24 0.6672(3) 0.5761(3) 0.5408(3) 0.0585(8) Uani d . 1 . .
    H H24 0.6696 0.6086 0.4882 0.070 Uiso calc R 1 . .
    C C25 0.6846(3) 0.4602(3) 0.5200(3) 0.0555(8) Uani d . 1 . .
    H H25 0.6950 0.4139 0.4521 0.067 Uiso calc R 1 . .
    C C26 0.6868(3) 0.4111(3) 0.5993(3) 0.0489(7) Uani d . 1 . .
    C C27 0.6728(3) 0.4861(3) 0.6993(3) 0.0495(7) Uani d . 1 . .
    C C28 0.6952(3) 0.2796(3) 0.5727(3) 0.0568(8) Uani d . 1 . .
    H H28A 0.7177 0.2691 0.6410 0.068 Uiso calc R 1 . .
    H H28B 0.7679 0.2684 0.5396 0.068 Uiso calc R 1 . .
    C C30 0.7950(3) 0.4717(3) 0.8597(3) 0.0574(8) Uani d . 1 . .
    C C31 0.7816(4) 0.4132(4) 0.9374(3) 0.0780(11) Uani d . 1 . .
    H H31 0.8602 0.4225 0.9888 0.094 Uiso calc R 1 . .
    C C32 0.6698(6) 0.3508(6) 0.9391(4) 0.121(2) Uani d . 1 . .
    H H32A 0.5892 0.3396 0.8888 0.146 Uiso calc R 1 . .
    H H32B 0.6691 0.3165 0.9905 0.146 Uiso calc R 1 . .
    C C33 0.1407(4) 0.1712(3) 0.7707(3) 0.0626(9) Uani d . 1 . .
    C C34 0.2195(5) 0.1432(4) 0.8553(4) 0.0880(13) Uani d . 1 . .
    H H34 0.1797 0.1298 0.9070 0.106 Uiso calc R 1 . .
    C C35 0.3378(6) 0.1362(5) 0.8623(4) 0.1059(16) Uani d . 1 . .
    H H35A 0.3801 0.1492 0.8118 0.127 Uiso calc R 1 . .
    H H35B 0.3831 0.1181 0.9181 0.127 Uiso calc R 1 . .
    C C36 0.0956(7) 0.0376(7) 1.1018(5) 0.122(2) Uani d U 1 . .
    H H36 0.1598 0.0579 1.1683 0.146 Uiso calc R 1 . .
    C C37 0.0331(7) 0.1154(7) 1.0852(5) 0.125(2) Uani d U 1 . .
    H H37 0.0512 0.1954 1.1392 0.150 Uiso calc R 1 . .
    C C38 -0.0607(6) 0.0733(7) 0.9839(6) 0.1193(19) Uani d DU 1 . .
    C C39 -0.1297(11) 0.1588(10) 0.9654(9) 0.215(4) Uani d DU 1 . .
    H H39A -0.0967 0.1881 0.9155 0.323 Uiso calc R 1 . .
    H H39B -0.1136 0.2282 1.0345 0.323 Uiso calc R 1 . .
    H H39C -0.2251 0.1172 0.9339 0.323 Uiso calc R 1 . .
    O O1 0.4567(3) 0.2189(2) 0.6387(2) 0.0562(6) Uani d . 1 . .
    O O2 0.2170(2) 0.2112(2) 0.71237(17) 0.0566(6) Uani d . 1 . .
    O O3 0.4109(3) 0.4560(3) 0.7850(2) 0.0663(7) Uani d . 1 . .
    O O4 0.6756(2) 0.4377(2) 0.78113(18) 0.0577(6) Uani d . 1 . .
    O O5 0.8960(2) 0.5393(3) 0.8629(2) 0.0801(8) Uani d . 1 . .
    O O6 0.0231(3) 0.1615(3) 0.7535(2) 0.0841(8) Uani d . 1 . .
    H H23A 0.490(8) 0.464(7) 0.802(6) 0.07(2) Uiso d P 0.52 . .
    H H23B 0.343(8) 0.401(7) 0.762(6) 0.05(2) Uiso d P 0.48 . .
    H H22A 0.523(7) 0.275(6) 0.676(5) 0.07(2) Uiso d P 0.60 . .
    H H22B 0.377(10) 0.207(9) 0.654(8) 0.08(3) Uiso d P 0.40 . .
_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
    C1 O1 . 1.371(4) ?
    C1 C6 . 1.398(4) ?
    C1 C2 . 1.403(4) ?
    C2 C3 . 1.385(5) ?
    C2 C28 . 1.517(4) ?
    C3 C4 . 1.372(5) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.375(5) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.382(4) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.518(4) ?
    C7 C8 . 1.514(4) ?
    C7 H7A . 0.9700 ?
    C7 H7B . 0.9700 ?
    C8 C9 . 1.380(4) ?
    C8 C13 . 1.397(4) ?
    C9 C10 . 1.388(4) ?
    C9 O2 . 1.420(4) ?
    C10 C11 . 1.385(5) ?
    C10 C14 . 1.510(5) ?
    C11 C12 . 1.373(5) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.373(5) ?
    C12 H12 . 0.9300 ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.514(4) ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 C20 . 1.389(5) ?
    C15 C16 . 1.406(4) ?
    C16 O3 . 1.363(4) ?
    C16 C17 . 1.387(4) ?
    C17 C18 . 1.387(5) ?
    C17 C21 . 1.526(5) ?
    C18 C19 . 1.381(5) ?
    C18 H18 . 0.9300 ?
    C19 C20 . 1.366(5) ?
    C19 H19 . 0.9300 ?
    C20 H20 . 0.9300 ?
    C21 C22 . 1.517(5) ?
    C21 H21A . 0.9700 ?
    C21 H21B . 0.9700 ?
    C22 C27 . 1.392(4) ?
    C22 C23 . 1.394(4) ?
    C23 C24 . 1.382(5) ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.378(5) ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.400(4) ?
    C25 H25 . 0.9300 ?
    C26 C27 . 1.388(4) ?
    C26 C28 . 1.516(5) ?
    C27 O4 . 1.425(3) ?
    C28 H28A . 0.9700 ?
    C28 H28B . 0.9700 ?
    C30 O5 . 1.189(4) ?
    C30 O4 . 1.356(4) ?
    C30 C31 . 1.476(5) ?
    C31 C32 . 1.277(6) ?
    C31 H31 . 0.9300 ?
    C32 H32A . 0.9300 ?
    C32 H32B . 0.9300 ?
    C33 O6 . 1.191(4) ?
    C33 O2 . 1.372(4) ?
    C33 C34 . 1.460(6) ?
    C34 C35 . 1.256(6) ?
    C34 H34 . 0.9300 ?
    C35 H35A . 0.9300 ?
    C35 H35B . 0.9300 ?
    C36 C37 . 1.304(9) ?
    C36 C38 2_557 1.337(9) ?
    C36 H36 . 0.9300 ?
    C37 C38 . 1.372(9) ?
    C37 H37 . 0.9300 ?
    C38 C36 2_557 1.337(9) ?
    C38 C39 . 1.437(8) ?
    C39 H39A . 0.9600 ?
    C39 H39B . 0.9600 ?
    C39 H39C . 0.9600 ?
    O1 H22A . 0.79(7) ?
    O1 H22B . 0.91(11) ?
    O3 H23A . 0.79(8) ?
    O3 H23B . 0.79(8) ?
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
    O1 C1 C6 . . 117.8(3) ?
    O1 C1 C2 . . 120.4(3) ?
    C6 C1 C2 . . 121.8(3) ?
    C3 C2 C1 . . 117.2(3) ?
    C3 C2 C28 . . 121.6(3) ?
    C1 C2 C28 . . 121.2(3) ?
    C4 C3 C2 . . 122.0(3) ?
    C4 C3 H3 . . 119.0 ?
    C2 C3 H3 . . 119.0 ?
    C3 C4 C5 . . 119.7(3) ?
    C3 C4 H4 . . 120.2 ?
    C5 C4 H4 . . 120.2 ?
    C4 C5 C6 . . 121.3(3) ?
    C4 C5 H5 . . 119.3 ?
    C6 C5 H5 . . 119.3 ?
    C5 C6 C1 . . 118.0(3) ?
    C5 C6 C7 . . 121.3(3) ?
    C1 C6 C7 . . 120.7(3) ?
    C8 C7 C6 . . 111.8(2) ?
    C8 C7 H7A . . 109.3 ?
    C6 C7 H7A . . 109.3 ?
    C8 C7 H7B . . 109.3 ?
    C6 C7 H7B . . 109.3 ?
    H7A C7 H7B . . 107.9 ?
    C9 C8 C13 . . 116.6(3) ?
    C9 C8 C7 . . 123.1(3) ?
    C13 C8 C7 . . 120.2(3) ?
    C8 C9 C10 . . 124.1(3) ?
    C8 C9 O2 . . 116.9(3) ?
    C10 C9 O2 . . 118.8(3) ?
    C11 C10 C9 . . 116.6(3) ?
    C11 C10 C14 . . 120.5(3) ?
    C9 C10 C14 . . 122.9(3) ?
    C12 C11 C10 . . 121.2(3) ?
    C12 C11 H11 . . 119.4 ?
    C10 C11 H11 . . 119.4 ?
    C13 C12 C11 . . 120.5(3) ?
    C13 C12 H12 . . 119.7 ?
    C11 C12 H12 . . 119.7 ?
    C12 C13 C8 . . 120.8(3) ?
    C12 C13 H13 . . 119.6 ?
    C8 C13 H13 . . 119.6 ?
    C10 C14 C15 . . 113.4(3) ?
    C10 C14 H14A . . 108.9 ?
    C15 C14 H14A . . 108.9 ?
    C10 C14 H14B . . 108.9 ?
    C15 C14 H14B . . 108.9 ?
    H14A C14 H14B . . 107.7 ?
    C20 C15 C16 . . 117.9(3) ?
    C20 C15 C14 . . 121.0(3) ?
    C16 C15 C14 . . 121.1(3) ?
    O3 C16 C17 . . 118.8(3) ?
    O3 C16 C15 . . 119.5(3) ?
    C17 C16 C15 . . 121.7(3) ?
    C16 C17 C18 . . 117.9(3) ?
    C16 C17 C21 . . 120.7(3) ?
    C18 C17 C21 . . 121.4(3) ?
    C19 C18 C17 . . 121.2(3) ?
    C19 C18 H18 . . 119.4 ?
    C17 C18 H18 . . 119.4 ?
    C20 C19 C18 . . 120.1(3) ?
    C20 C19 H19 . . 119.9 ?
    C18 C19 H19 . . 119.9 ?
    C19 C20 C15 . . 121.1(3) ?
    C19 C20 H20 . . 119.5 ?
    C15 C20 H20 . . 119.5 ?
    C22 C21 C17 . . 113.0(3) ?
    C22 C21 H21A . . 109.0 ?
    C17 C21 H21A . . 109.0 ?
    C22 C21 H21B . . 109.0 ?
    C17 C21 H21B . . 109.0 ?
    H21A C21 H21B . . 107.8 ?
    C27 C22 C23 . . 116.3(3) ?
    C27 C22 C21 . . 122.3(3) ?
    C23 C22 C21 . . 121.3(3) ?
    C24 C23 C22 . . 121.3(3) ?
    C24 C23 H23 . . 119.4 ?
    C22 C23 H23 . . 119.4 ?
    C25 C24 C23 . . 120.3(3) ?
    C25 C24 H24 . . 119.9 ?
    C23 C24 H24 . . 119.9 ?
    C24 C25 C26 . . 121.1(3) ?
    C24 C25 H25 . . 119.4 ?
    C26 C25 H25 . . 119.4 ?
    C27 C26 C25 . . 116.3(3) ?
    C27 C26 C28 . . 122.7(3) ?
    C25 C26 C28 . . 120.8(3) ?
    C26 C27 C22 . . 124.4(3) ?
    C26 C27 O4 . . 117.1(3) ?
    C22 C27 O4 . . 118.3(3) ?
    C26 C28 C2 . . 113.5(2) ?
    C26 C28 H28A . . 108.9 ?
    C2 C28 H28A . . 108.9 ?
    C26 C28 H28B . . 108.9 ?
    C2 C28 H28B . . 108.9 ?
    H28A C28 H28B . . 107.7 ?
    O5 C30 O4 . . 123.1(3) ?
    O5 C30 C31 . . 125.8(3) ?
    O4 C30 C31 . . 111.2(3) ?
    C32 C31 C30 . . 124.7(4) ?
    C32 C31 H31 . . 117.6 ?
    C30 C31 H31 . . 117.6 ?
    C31 C32 H32A . . 120.0 ?
    C31 C32 H32B . . 120.0 ?
    H32A C32 H32B . . 120.0 ?
    O6 C33 O2 . . 122.8(3) ?
    O6 C33 C34 . . 124.5(3) ?
    O2 C33 C34 . . 112.7(3) ?
    C35 C34 C33 . . 123.8(4) ?
    C35 C34 H34 . . 118.1 ?
    C33 C34 H34 . . 118.1 ?
    C34 C35 H35A . . 120.0 ?
    C34 C35 H35B . . 120.0 ?
    H35A C35 H35B . . 120.0 ?
    C37 C36 C38 . 2_557 115.0(7) ?
    C37 C36 H36 . . 122.5 ?
    C38 C36 H36 2_557 . 122.5 ?
    C36 C37 C38 . . 116.7(8) ?
    C36 C37 H37 . . 121.6 ?
    C38 C37 H37 . . 121.6 ?
    C36 C38 C37 2_557 . 128.3(7) ?
    C36 C38 C39 2_557 . 114.9(8) ?
    C37 C38 C39 . . 116.8(9) ?
    C38 C39 H39A . . 109.5 ?
    C38 C39 H39B . . 109.5 ?
    H39A C39 H39B . . 109.5 ?
    C38 C39 H39C . . 109.5 ?
    H39A C39 H39C . . 109.5 ?
    H39B C39 H39C . . 109.5 ?
    C1 O1 H22A . . 116(4) ?
    C1 O1 H22B . . 116(6) ?
    H22A O1 H22B . . 125(8) ?
    C33 O2 C9 . . 117.9(2) ?
    C16 O3 H23A . . 118(5) ?
    C16 O3 H23B . . 105(5) ?
    H23A O3 H23B . . 137(8) ?
    C30 O4 C27 . . 117.7(2) ?
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
    O1 C1 C2 C3 . . . . 178.8(3) ?
    C6 C1 C2 C3 . . . . 0.2(4) ?
    O1 C1 C2 C28 . . . . -0.8(4) ?
    C6 C1 C2 C28 . . . . -179.4(3) ?
    C1 C2 C3 C4 . . . . 0.2(4) ?
    C28 C2 C3 C4 . . . . 179.8(3) ?
    C2 C3 C4 C5 . . . . 0.1(5) ?
    C3 C4 C5 C6 . . . . -0.7(5) ?
    C4 C5 C6 C1 . . . . 1.0(4) ?
    C4 C5 C6 C7 . . . . 179.7(3) ?
    O1 C1 C6 C5 . . . . -179.4(3) ?
    C2 C1 C6 C5 . . . . -0.7(4) ?
    O1 C1 C6 C7 . . . . 1.9(4) ?
    C2 C1 C6 C7 . . . . -179.5(3) ?
    C5 C6 C7 C8 . . . . -105.1(3) ?
    C1 C6 C7 C8 . . . . 73.6(3) ?
    C6 C7 C8 C9 . . . . -107.8(3) ?
    C6 C7 C8 C13 . . . . 68.3(3) ?
    C13 C8 C9 C10 . . . . -5.4(4) ?
    C7 C8 C9 C10 . . . . 170.8(3) ?
    C13 C8 C9 O2 . . . . 179.9(2) ?
    C7 C8 C9 O2 . . . . -3.9(4) ?
    C8 C9 C10 C11 . . . . 5.3(4) ?
    O2 C9 C10 C11 . . . . 180.0(2) ?
    C8 C9 C10 C14 . . . . -171.6(3) ?
    O2 C9 C10 C14 . . . . 3.1(4) ?
    C9 C10 C11 C12 . . . . -1.3(4) ?
    C14 C10 C11 C12 . . . . 175.7(3) ?
    C10 C11 C12 C13 . . . . -2.3(5) ?
    C11 C12 C13 C8 . . . . 2.3(5) ?
    C9 C8 C13 C12 . . . . 1.4(4) ?
    C7 C8 C13 C12 . . . . -174.9(3) ?
    C11 C10 C14 C15 . . . . -70.1(4) ?
    C9 C10 C14 C15 . . . . 106.7(3) ?
    C10 C14 C15 C20 . . . . 110.7(4) ?
    C10 C14 C15 C16 . . . . -71.0(4) ?
    C20 C15 C16 O3 . . . . 177.3(3) ?
    C14 C15 C16 O3 . . . . -1.0(5) ?
    C20 C15 C16 C17 . . . . -0.7(5) ?
    C14 C15 C16 C17 . . . . -179.1(3) ?
    O3 C16 C17 C18 . . . . -176.7(3) ?
    C15 C16 C17 C18 . . . . 1.3(5) ?
    O3 C16 C17 C21 . . . . 2.2(5) ?
    C15 C16 C17 C21 . . . . -179.7(3) ?
    C16 C17 C18 C19 . . . . -0.5(5) ?
    C21 C17 C18 C19 . . . . -179.4(3) ?
    C17 C18 C19 C20 . . . . -1.1(6) ?
    C18 C19 C20 C15 . . . . 1.7(6) ?
    C16 C15 C20 C19 . . . . -0.8(5) ?
    C14 C15 C20 C19 . . . . 177.5(3) ?
    C16 C17 C21 C22 . . . . 71.8(4) ?
    C18 C17 C21 C22 . . . . -109.2(4) ?
    C17 C21 C22 C27 . . . . -106.3(3) ?
    C17 C21 C22 C23 . . . . 72.1(4) ?
    C27 C22 C23 C24 . . . . 1.6(4) ?
    C21 C22 C23 C24 . . . . -176.8(3) ?
    C22 C23 C24 C25 . . . . 2.3(5) ?
    C23 C24 C25 C26 . . . . -2.6(5) ?
    C24 C25 C26 C27 . . . . -1.0(4) ?
    C24 C25 C26 C28 . . . . 175.3(3) ?
    C25 C26 C27 C22 . . . . 5.2(4) ?
    C28 C26 C27 C22 . . . . -171.0(3) ?
    C25 C26 C27 O4 . . . . -179.7(2) ?
    C28 C26 C27 O4 . . . . 4.1(4) ?
    C23 C22 C27 C26 . . . . -5.5(4) ?
    C21 C22 C27 C26 . . . . 172.9(3) ?
    C23 C22 C27 O4 . . . . 179.4(2) ?
    C21 C22 C27 O4 . . . . -2.2(4) ?
    C27 C26 C28 C2 . . . . 103.7(3) ?
    C25 C26 C28 C2 . . . . -72.3(3) ?
    C3 C2 C28 C26 . . . . 106.5(3) ?
    C1 C2 C28 C26 . . . . -73.9(4) ?
    O5 C30 C31 C32 . . . . 172.8(5) ?
    O4 C30 C31 C32 . . . . -7.7(7) ?
    O6 C33 C34 C35 . . . . 169.2(5) ?
    O2 C33 C34 C35 . . . . -11.2(7) ?
    C38 C36 C37 C38 2_557 . . . 0.9(9) ?
    C36 C37 C38 C36 . . . 2_557 -1.1(10) ?
    C36 C37 C38 C39 . . . . 180.0(6) ?
    O6 C33 O2 C9 . . . . -8.7(5) ?
    C34 C33 O2 C9 . . . . 171.6(3) ?
    C8 C9 O2 C33 . . . . -108.0(3) ?
    C10 C9 O2 C33 . . . . 77.0(3) ?
    O5 C30 O4 C27 . . . . 0.0(5) ?
    C31 C30 O4 C27 . . . . -179.5(3) ?
    C26 C27 O4 C30 . . . . 96.2(3) ?
    C22 C27 O4 C30 . . . . -88.3(3) ?
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
    O3 H23A O4 . 0.79(8) 2.11(8) 2.855(4) 157(8)
    O3 H23B O2 . 0.79(8) 2.19(7) 2.927(4) 156(7)
    O1 H22A O4 . 0.79(7) 2.07(7) 2.857(4) 171(6)
    O1 H22B O2 . 0.91(11) 2.00(11) 2.897(3) 170(9)
data_global
_journal_date_recd_electronic     2007-06-28
_journal_date_accepted     2007-06-28
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      8
_journal_page_first     o3378
_journal_page_last     o3378
_journal_paper_category     QO
_journal_coeditor_code     HB2467
_publ_contact_author_name     'Ibrahim Ucar'
_publ_contact_author_address
;
Department of Physics
Arts and Sciences Faculty
Ondokuz Mayis University
55139 Samsun
Turkey
;
_publ_contact_author_email     iucar@omu.edu.tr
_publ_contact_author_fax      903124576081
_publ_contact_author_phone      903624576020
_publ_section_title
;
25,27-Bis(acryloyloxy)-26,28-dihydroxycalix[4]arene toluene
hemisolvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Sevil Özkinali'
;
Department of Chemistry
Arts and Sciences Faculty
Ondokuz Mayıs University
55139 Samsun
Turkey
;
    'Ibrahim Uçar'
;
Department of Physics
Arts and Sciences Faculty
Ondokuz Mayıs University
55139 Samsun
Turkey
;
    'Hasan Kocaokutgen'
;
Department of Chemistry
Arts and Sciences Faculty
Ondokuz Mayıs University
55139 Samsun
Turkey
;
    'Ahmet Bulut'
;
Department of Physics
Arts and Sciences Faculty
Ondokuz Mayıs University
55139 Samsun
Turkey
;
