##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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/  #
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#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_IV
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
4,4',4'',4'''-methanetetrayltetracarboxylic acid--dimethyl sulfoxide--toluene
(1/4/1)
;
_chemical_name_common
         'Tetrakis(4-carboxyphenyl)methane--dimethyl sulfoxide--toluene (1/4/1)'
_chemical_formula_moiety     'C29 H20 O8, C7 H8, 4C2 H6 O S'
_chemical_formula_sum     'C44 H52 O12 S4'
_chemical_formula_iupac     'C29 H20 O8, C7 H8, 4C2 H6 O S'
_chemical_formula_weight     901.10
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     C2/c
_symmetry_space_group_name_hall     '-C 2yc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     28.723(15)
_cell_length_b     7.269(5)
_cell_length_c     26.824(9)
_cell_angle_alpha     90.00
_cell_angle_beta     123.61(3)
_cell_angle_gamma     90.00
_cell_volume     4664(5)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     25
_cell_measurement_theta_min     20.0
_cell_measurement_theta_max     21.0
_cell_measurement_temperature     225(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.50
_exptl_crystal_size_mid     0.14
_exptl_crystal_size_min     0.06
_exptl_crystal_density_diffrn     1.283
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1904
_exptl_absorpt_coefficient_mu     2.360
_exptl_absorpt_correction_type     Gaussian
_exptl_absorpt_process_details     'from crystal shape'
_exptl_absorpt_correction_T_min     0.38
_exptl_absorpt_correction_T_max     0.87
_exptl_special_details
;
;
_diffrn_ambient_temperature     225(2)
_diffrn_radiation_type     'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_source     'Sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Enraf--Nonius CAD-4'
_diffrn_measurement_method     ω/2θ
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     32349
_diffrn_reflns_av_R_equivalents     0.067
_diffrn_reflns_av_sigmaI/netI     0.0371
_diffrn_reflns_theta_min     3.62
_diffrn_reflns_theta_max     69.86
_diffrn_reflns_theta_full     69.86
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -34
_diffrn_reflns_limit_h_max     34
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     8
_diffrn_reflns_limit_l_min     -32
_diffrn_reflns_limit_l_max     32
_diffrn_standards_number     6
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     60
_diffrn_standards_decay_%     -3.90
_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     4410
_reflns_number_gt     3266
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0790
_refine_ls_R_factor_gt     0.0657
_refine_ls_wR_factor_gt     0.1820
_refine_ls_wR_factor_ref     0.1903
_refine_ls_goodness_of_fit_ref     1.010
_refine_ls_restrained_S_all     1.012
_refine_ls_number_reflns     4410
_refine_ls_number_parameters     295
_refine_ls_number_restraints     46
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
              'calc w = 1/[σ²(Fo²)+(0.136P)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     0.783
_refine_diff_density_min     -0.528
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.00030(9)
_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
    'S' 'S' 0.3331 0.5567
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0492 0.0322
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'C' 'C' 0.0181 0.0091
                         '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'
_computing_data_collection     'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_cell_refinement     'CAD-4 Software '
_computing_data_reduction     'local Program'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics
                       'SHELXTL (Bruker, 1997) and ATOMS (Shape Software, 2002)'
_computing_publication_material     SHELXTL
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
    O11 0.13332(11) 0.6814(3) 0.16478(11) 0.0570(6) Uani d . 1 . . O
    H11 0.1492 0.7689 0.1602 0.086 Uiso calc R 1 . . H
    O12 0.15109(13) 0.8442(4) 0.24366(13) 0.0771(9) Uani d . 1 . . O
    O21 0.18517(9) -0.3172(4) 0.47396(11) 0.0698(7) Uani d . 1 . . O
    H21 0.2007 -0.4051 0.4973 0.105 Uiso calc R 1 . . H
    O22 0.10910(10) -0.4599(4) 0.45441(13) 0.0855(10) Uani d . 1 . . O
    C1 0.0000 0.1838(5) 0.2500 0.0302(7) Uani d S 1 . . C
    C11 0.03599(9) 0.3131(3) 0.23829(11) 0.0304(5) Uani d . 1 . . C
    C12 0.06745(10) 0.4493(3) 0.28079(11) 0.0352(5) Uani d . 1 . . C
    H12 0.0676 0.4552 0.3159 0.042 Uiso calc R 1 . . H
    C13 0.09833(11) 0.5753(3) 0.27201(12) 0.0370(6) Uani d . 1 . . C
    H13 0.1195 0.6653 0.3012 0.044 Uiso calc R 1 . . H
    C14 0.09827(10) 0.5695(3) 0.22038(12) 0.0361(6) Uani d . 1 . . C
    C15 0.06710(11) 0.4352(4) 0.17792(12) 0.0387(6) Uani d . 1 . . C
    H15 0.0669 0.4297 0.1428 0.046 Uiso calc R 1 . . H
    C16 0.03610(11) 0.3085(4) 0.18691(12) 0.0361(5) Uani d . 1 . . C
    H16 0.0150 0.2187 0.1576 0.043 Uiso calc R 1 . . H
    C17 0.13020(12) 0.7133(4) 0.21115(14) 0.0454(7) Uani d . 1 . . C
    C21 0.03653(9) 0.0542(3) 0.30335(10) 0.0300(5) Uani d . 1 . . C
    C22 0.09488(10) 0.0563(4) 0.33732(11) 0.0365(6) Uani d . 1 . . C
    H22 0.1136 0.1451 0.3292 0.044 Uiso calc R 1 . . H
    C23 0.12562(10) -0.0693(4) 0.38261(11) 0.0390(6) Uani d . 1 . . C
    H23 0.1649 -0.0647 0.4049 0.047 Uiso calc R 1 . . H
    C24 0.09918(10) -0.2024(3) 0.39557(11) 0.0344(5) Uani d . 1 . . C
    C25 0.04080(11) -0.2081(3) 0.36102(11) 0.0359(5) Uani d . 1 . . C
    H25 0.0222 -0.2989 0.3686 0.043 Uiso calc R 1 . . H
    C26 0.01041(10) -0.0830(3) 0.31628(11) 0.0354(5) Uani d . 1 . . C
    H26 -0.0288 -0.0891 0.2937 0.042 Uiso calc R 1 . . H
    C27 0.13093(12) -0.3395(4) 0.44343(12) 0.0431(6) Uani d . 1 . . C
    S1 0.15401(4) 0.14047(12) 0.15068(4) 0.0577(3) Uani d . 1 . . S
    O1 0.17682(11) -0.0384(3) 0.14387(12) 0.0618(7) Uani d . 1 . . O
    C18 0.1552(3) 0.2920(7) 0.1005(3) 0.131(3) Uani d . 1 . . C
    H18A 0.1272 0.2549 0.0598 0.197 Uiso calc R 1 . . H
    H18B 0.1919 0.2892 0.1068 0.197 Uiso calc R 1 . . H
    H18C 0.1472 0.4159 0.1072 0.197 Uiso calc R 1 . . H
    C19 0.2065(2) 0.2339(7) 0.2186(2) 0.1067(18) Uani d . 1 . . C
    H19A 0.2105 0.1618 0.2511 0.160 Uiso calc R 1 . . H
    H19B 0.1970 0.3597 0.2215 0.160 Uiso calc R 1 . . H
    H19C 0.2415 0.2325 0.2210 0.160 Uiso calc R 1 . . H
    S2 0.21912(3) 0.30259(12) 0.57796(4) 0.0555(3) Uani d . 1 . . S
    O2 0.24262(9) 0.4438(4) 0.55691(12) 0.0760(8) Uani d . 1 . . O
    C28 0.1833(2) 0.1468(6) 0.5187(2) 0.0866(13) Uani d . 1 . . C
    H28A 0.1491 0.2030 0.4865 0.130 Uiso calc R 1 . . H
    H28B 0.1744 0.0371 0.5324 0.130 Uiso calc R 1 . . H
    H28C 0.2067 0.1139 0.5043 0.130 Uiso calc R 1 . . H
    C29 0.27735(18) 0.1653(8) 0.6290(3) 0.114(2) Uani d . 1 . . C
    H29A 0.3021 0.2353 0.6652 0.171 Uiso calc R 1 . . H
    H29B 0.2973 0.1289 0.6110 0.171 Uiso calc R 1 . . H
    H29C 0.2645 0.0564 0.6390 0.171 Uiso calc R 1 . . H
    C31 0.0188(4) 0.1043(10) 0.5031(4) 0.103(2) Uani d PGDU 0.50 A -1 C
    C32 0.0203(4) -0.0464(13) 0.4722(4) 0.111(3) Uani d PGDU 0.50 A -1 C
    H32 0.0378 -0.0364 0.4513 0.133 Uiso calc PR 0.50 A -1 H
    C33 -0.0039(4) -0.2118(11) 0.4722(4) 0.127(3) Uani d PGDU 0.50 A -1 C
    H33 -0.0029 -0.3138 0.4513 0.152 Uiso calc PR 0.50 A -1 H
    C34 -0.0298(4) -0.2266(11) 0.5031(5) 0.124(4) Uani d PGDU 0.50 A -1 C
    H34 -0.0462 -0.3384 0.5031 0.148 Uiso calc PR 0.50 A -1 H
    C35 -0.0314(4) -0.0758(14) 0.5340(4) 0.110(3) Uani d PGDU 0.50 A -1 C
    H35 -0.0489 -0.0858 0.5549 0.132 Uiso calc PR 0.50 A -1 H
    C36 -0.0071(4) 0.0896(12) 0.5340(4) 0.101(3) Uani d PGDU 0.50 A -1 C
    H36 -0.0082 0.1915 0.5550 0.121 Uiso calc PR 0.50 A -1 H
    C37 0.0450(6) 0.283(2) 0.5028(6) 0.119(4) Uani d PDU 0.50 A -1 C
    H37A 0.0210 0.3847 0.4981 0.178 Uiso calc PR 0.50 A -1 H
    H37B 0.0499 0.2836 0.4698 0.178 Uiso calc PR 0.50 A -1 H
    H37C 0.0811 0.2969 0.5402 0.178 Uiso calc PR 0.50 A -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
    O11 C17 . 1.316(3) ?
    O11 H11 . 0.8300 ?
    O12 C17 . 1.203(4) ?
    O21 C27 . 1.308(4) ?
    O21 H21 . 0.8300 ?
    O22 C27 . 1.204(4) ?
    C1 C21 2 1.541(3) ?
    C1 C21 . 1.541(3) ?
    C1 C11 2 1.552(3) ?
    C1 C11 . 1.552(3) ?
    C11 C16 . 1.380(3) ?
    C11 C12 . 1.398(3) ?
    C12 C13 . 1.383(3) ?
    C12 H12 . 0.9400 ?
    C13 C14 . 1.385(4) ?
    C13 H13 . 0.9400 ?
    C14 C15 . 1.387(4) ?
    C14 C17 . 1.499(4) ?
    C15 C16 . 1.392(3) ?
    C15 H15 . 0.9400 ?
    C16 H16 . 0.9400 ?
    C21 C22 . 1.396(3) ?
    C21 C26 . 1.402(3) ?
    C22 C23 . 1.379(4) ?
    C22 H22 . 0.9400 ?
    C23 C24 . 1.388(4) ?
    C23 H23 . 0.9400 ?
    C24 C25 . 1.397(4) ?
    C24 C27 . 1.475(4) ?
    C25 C26 . 1.367(4) ?
    C25 H25 . 0.9400 ?
    C26 H26 . 0.9400 ?
    S1 O1 . 1.512(2) ?
    S1 C19 . 1.735(5) ?
    S1 C18 . 1.755(5) ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    C18 H18C . 0.9700 ?
    C19 H19A . 0.9700 ?
    C19 H19B . 0.9700 ?
    C19 H19C . 0.9700 ?
    S2 O2 . 1.500(2) ?
    S2 C28 . 1.748(5) ?
    S2 C29 . 1.770(4) ?
    C28 H28A . 0.9700 ?
    C28 H28B . 0.9700 ?
    C28 H28C . 0.9700 ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C29 H29C . 0.9700 ?
    C31 C32 . 1.3900 ?
    C31 C36 . 1.3900 ?
    C31 C37 . 1.507(15) ?
    C32 C33 . 1.3900 ?
    C32 H32 . 0.9400 ?
    C33 C34 . 1.3900 ?
    C33 H33 . 0.9400 ?
    C34 C35 . 1.3900 ?
    C34 H34 . 0.9400 ?
    C35 C36 . 1.3900 ?
    C35 H35 . 0.9400 ?
    C36 H36 . 0.9400 ?
    C37 H37A . 0.9700 ?
    C37 H37B . 0.9700 ?
    C37 H37C . 0.9700 ?
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
    C17 O11 H11 . . 109.5 ?
    C27 O21 H21 . . 109.5 ?
    C21 C1 C21 2 . 104.6(3) ?
    C21 C1 C11 2 2 111.75(13) ?
    C21 C1 C11 . 2 111.69(13) ?
    C21 C1 C11 2 . 111.69(13) ?
    C21 C1 C11 . . 111.75(13) ?
    C11 C1 C11 2 . 105.5(3) ?
    C16 C11 C12 . . 118.3(2) ?
    C16 C11 C1 . . 123.9(2) ?
    C12 C11 C1 . . 117.8(2) ?
    C13 C12 C11 . . 121.1(2) ?
    C13 C12 H12 . . 119.5 ?
    C11 C12 H12 . . 119.5 ?
    C12 C13 C14 . . 120.3(2) ?
    C12 C13 H13 . . 119.9 ?
    C14 C13 H13 . . 119.9 ?
    C13 C14 C15 . . 119.1(2) ?
    C13 C14 C17 . . 118.8(2) ?
    C15 C14 C17 . . 122.1(2) ?
    C14 C15 C16 . . 120.5(2) ?
    C14 C15 H15 . . 119.7 ?
    C16 C15 H15 . . 119.7 ?
    C11 C16 C15 . . 120.8(2) ?
    C11 C16 H16 . . 119.6 ?
    C15 C16 H16 . . 119.6 ?
    O12 C17 O11 . . 123.9(3) ?
    O12 C17 C14 . . 122.5(3) ?
    O11 C17 C14 . . 113.6(2) ?
    C22 C21 C26 . . 117.4(2) ?
    C22 C21 C1 . . 123.6(2) ?
    C26 C21 C1 . . 118.8(2) ?
    C23 C22 C21 . . 121.3(2) ?
    C23 C22 H22 . . 119.3 ?
    C21 C22 H22 . . 119.3 ?
    C22 C23 C24 . . 120.7(2) ?
    C22 C23 H23 . . 119.7 ?
    C24 C23 H23 . . 119.7 ?
    C23 C24 C25 . . 118.5(2) ?
    C23 C24 C27 . . 121.9(2) ?
    C25 C24 C27 . . 119.6(2) ?
    C26 C25 C24 . . 120.8(2) ?
    C26 C25 H25 . . 119.6 ?
    C24 C25 H25 . . 119.6 ?
    C25 C26 C21 . . 121.4(2) ?
    C25 C26 H26 . . 119.3 ?
    C21 C26 H26 . . 119.3 ?
    O22 C27 O21 . . 122.5(3) ?
    O22 C27 C24 . . 123.3(3) ?
    O21 C27 C24 . . 114.2(2) ?
    O1 S1 C19 . . 106.3(2) ?
    O1 S1 C18 . . 104.7(2) ?
    C19 S1 C18 . . 100.6(3) ?
    S1 C18 H18A . . 109.5 ?
    S1 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    S1 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    S1 C19 H19A . . 109.5 ?
    S1 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    S1 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    O2 S2 C28 . . 105.2(2) ?
    O2 S2 C29 . . 104.36(18) ?
    C28 S2 C29 . . 99.6(3) ?
    S2 C28 H28A . . 109.5 ?
    S2 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    S2 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    S2 C29 H29A . . 109.5 ?
    S2 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    S2 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    C32 C31 C36 . . 120.0 ?
    C32 C31 C37 . . 119.7(9) ?
    C36 C31 C37 . . 120.3(9) ?
    C33 C32 C31 . . 120.0 ?
    C33 C32 H32 . . 120.0 ?
    C31 C32 H32 . . 120.0 ?
    C32 C33 C34 . . 120.0 ?
    C32 C33 H33 . . 120.0 ?
    C34 C33 H33 . . 120.0 ?
    C35 C34 C33 . . 120.0 ?
    C35 C34 H34 . . 120.0 ?
    C33 C34 H34 . . 120.0 ?
    C34 C35 C36 . . 120.0 ?
    C34 C35 H35 . . 120.0 ?
    C36 C35 H35 . . 120.0 ?
    C35 C36 C31 . . 120.0 ?
    C35 C36 H36 . . 120.0 ?
    C31 C36 H36 . . 120.0 ?
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
    C21 C1 C11 C16 2 . . . -1.5(3) ?
    C21 C1 C11 C16 . . . . 115.3(2) ?
    C11 C1 C11 C16 2 . . . -123.2(3) ?
    C21 C1 C11 C12 2 . . . 174.4(2) ?
    C21 C1 C11 C12 . . . . -68.8(3) ?
    C11 C1 C11 C12 2 . . . 52.79(17) ?
    C16 C11 C12 C13 . . . . -0.6(4) ?
    C1 C11 C12 C13 . . . . -176.8(2) ?
    C11 C12 C13 C14 . . . . 0.5(4) ?
    C12 C13 C14 C15 . . . . -0.3(4) ?
    C12 C13 C14 C17 . . . . 177.3(2) ?
    C13 C14 C15 C16 . . . . 0.3(4) ?
    C17 C14 C15 C16 . . . . -177.3(2) ?
    C12 C11 C16 C15 . . . . 0.5(4) ?
    C1 C11 C16 C15 . . . . 176.5(2) ?
    C14 C15 C16 C11 . . . . -0.4(4) ?
    C13 C14 C17 O12 . . . . -7.8(4) ?
    C15 C14 C17 O12 . . . . 169.8(3) ?
    C13 C14 C17 O11 . . . . 171.7(3) ?
    C15 C14 C17 O11 . . . . -10.7(4) ?
    C21 C1 C21 C22 2 . . . 122.0(3) ?
    C11 C1 C21 C22 2 . . . -116.9(2) ?
    C11 C1 C21 C22 . . . . 1.0(3) ?
    C21 C1 C21 C26 2 . . . -53.07(18) ?
    C11 C1 C21 C26 2 . . . 68.0(3) ?
    C11 C1 C21 C26 . . . . -174.1(2) ?
    C26 C21 C22 C23 . . . . -1.3(4) ?
    C1 C21 C22 C23 . . . . -176.5(2) ?
    C21 C22 C23 C24 . . . . 0.2(4) ?
    C22 C23 C24 C25 . . . . 1.1(4) ?
    C22 C23 C24 C27 . . . . 179.5(3) ?
    C23 C24 C25 C26 . . . . -1.3(4) ?
    C27 C24 C25 C26 . . . . -179.8(2) ?
    C24 C25 C26 C21 . . . . 0.2(4) ?
    C22 C21 C26 C25 . . . . 1.1(4) ?
    C1 C21 C26 C25 . . . . 176.5(2) ?
    C23 C24 C27 O22 . . . . -177.7(3) ?
    C25 C24 C27 O22 . . . . 0.7(5) ?
    C23 C24 C27 O21 . . . . 3.6(4) ?
    C25 C24 C27 O21 . . . . -178.0(3) ?
    C36 C31 C32 C33 . . . . 0.0 ?
    C37 C31 C32 C33 . . . . -179.8(11) ?
    C31 C32 C33 C34 . . . . 0.0 ?
    C32 C33 C34 C35 . . . . 0.0 ?
    C33 C34 C35 C36 . . . . 0.0 ?
    C34 C35 C36 C31 . . . . 0.0 ?
    C32 C31 C36 C35 . . . . 0.0 ?
    C37 C31 C36 C35 . . . . 179.8(11) ?
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
    O11 H11 O1 1_565 0.83 1.78 2.608(3) 174
    O21 H21 O2 1_545 0.83 1.76 2.574(3) 168
data_global
_journal_date_recd_electronic     2005-01-17
_journal_date_accepted     2005-01-24
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      3
_journal_page_first     o518
_journal_page_last     o520
_journal_paper_category     EO
_publ_contact_author
;
    Prof. James D. Wuest
    Département de Chimie
    Université de Montréal
    Montréal, Québec
    Canada H3C 3J7
;
_publ_contact_author_email     'thierry.maris@umontreal.ca'
_publ_contact_author_fax     '514-340-3721'
_publ_contact_author_phone     '514-340-5178'
_publ_section_title
;
Tetrakis(4-carboxyphenyl)methane--dimethyl sulfoxide--toluene (1/4/1)
;
loop_
    _publ_author_name
    _publ_author_address
    "Nadia Malek"
;
Département de Chimie
Université de Montréal
Montréal, Québec
Canada H3C 3J7
;
    "Thierry Maris"
;
Département de Chimie
Université de Montréal
Montréal, Québec
Canada H3C 3J7
;
    "Michel Simard"
;
Département de Chimie
Université de Montréal
Montréal, Québec
Canada H3C 3J7
;
    "James D. Wuest"
;
Département de Chimie
Université de Montréal
Montréal, Québec
Canada H3C 3J7
;
