#------------------------------------------------------------------------------
#$Date: 2017-10-13 11:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/22/37/2223754.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2223754
loop_
_publ_author_name
'Wen, Liyuan'
'Yin, Handong'
'Wang, Chuanhua'
_publ_section_title
;
 Bis(5-amino-2-chlorobenzoato-κO)triphenylantimony(V)
;
_journal_coeditor_code           GK2233
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1443
_journal_paper_doi               10.1107/S1600536809043578
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sb (C6 H5)3 (C7 H5 Cl N O2)2]'
_chemical_formula_moiety         'C32 H25 Cl2 N2 O4 Sb'
_chemical_formula_sum            'C32 H25 Cl2 N2 O4 Sb'
_chemical_formula_weight         694.19
_chemical_name_systematic
;
Bis(5-amino-2-chlorobenzoato-κO)triphenylantimony(V)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.161(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.683(3)
_cell_length_b                   9.0128(12)
_cell_length_c                   23.096(3)
_cell_measurement_reflns_used    3588
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.690
_cell_measurement_theta_min      2.362
_cell_volume                     6134.6(13)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0576
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            15481
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.112
_exptl_absorpt_correction_T_max  0.8334
_exptl_absorpt_correction_T_min  0.6969
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.857
_refine_diff_density_min         -0.492
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         5409
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0252P)²+12.9995P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                3450
_reflns_number_total             5409
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gk2233.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (5
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (10 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        6134.6(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2223754
_cod_database_fobs_code          2223754
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'
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
Sb Sb1 0.133450(10) 0.75719(4) 0.387976(14) 0.03529(11) Uani d . 1 . .
Cl Cl1 0.19341(5) 0.92982(17) 0.61118(7) 0.0683(4) Uani d . 1 . .
Cl Cl2 0.17565(5) 0.4095(2) 0.25676(8) 0.0998(7) Uani d . 1 . .
N N1 0.02031(18) 1.2629(6) 0.5343(2) 0.0590(12) Uani d D 1 . .
N N2 -0.00974(17) 0.4432(6) 0.0918(2) 0.0567(13) Uani d D 1 . .
O O1 0.14690(11) 0.8704(3) 0.47239(14) 0.0427(8) Uani d . 1 . .
O O2 0.08342(11) 0.7652(4) 0.48081(14) 0.0478(8) Uani d . 1 . .
O O3 0.12400(10) 0.6602(3) 0.30150(13) 0.0411(8) Uani d . 1 . .
O O4 0.06817(10) 0.5306(4) 0.32076(15) 0.0445(9) Uani d . 1 . .
C C1 0.11308(17) 0.8607(5) 0.4962(2) 0.0390(12) Uani d . 1 . .
C C2 0.10837(16) 0.9804(5) 0.5384(2) 0.0382(12) Uani d . 1 . .
C C3 0.14220(16) 1.0253(5) 0.5887(2) 0.0432(13) Uani d . 1 . .
C C4 0.13472(19) 1.1428(6) 0.6237(2) 0.0531(14) Uani d . 1 . .
H H4 0.1570 1.1696 0.6585 0.064 Uiso calc R 1 . .
C C5 0.09432(19) 1.2197(6) 0.6068(2) 0.0571(15) Uani d . 1 . .
H H5 0.0898 1.2997 0.6299 0.069 Uiso calc R 1 . .
C C6 0.06032(18) 1.1792(6) 0.5558(2) 0.0469(13) Uani d . 1 . .
C C7 0.06747(17) 1.0588(5) 0.5228(2) 0.0426(12) Uani d . 1 . .
H H7 0.0445 1.0290 0.4893 0.051 Uiso calc R 1 . .
C C8 0.09252(16) 0.5591(5) 0.2885(2) 0.0360(11) Uani d . 1 . .
C C9 0.08637(16) 0.4847(5) 0.2287(2) 0.0367(11) Uani d . 1 . .
C C10 0.12097(16) 0.4236(6) 0.2091(2) 0.0524(14) Uani d . 1 . .
C C11 0.11202(19) 0.3647(6) 0.1518(3) 0.0648(17) Uani d . 1 . .
H H11 0.1353 0.3213 0.1392 0.078 Uiso calc R 1 . .
C C12 0.06878(19) 0.3698(6) 0.1131(2) 0.0560(15) Uani d . 1 . .
H H12 0.0635 0.3331 0.0741 0.067 Uiso calc R 1 . .
C C13 0.03327(16) 0.4285(5) 0.1315(2) 0.0388(12) Uani d . 1 . .
C C14 0.04275(16) 0.4845(5) 0.1899(2) 0.0391(12) Uani d . 1 . .
H H14 0.0191 0.5231 0.2032 0.047 Uiso calc R 1 . .
C C15 0.07540(17) 0.8918(5) 0.3575(2) 0.0408(12) Uani d . 1 . .
C C16 0.0831(2) 1.0412(6) 0.3515(3) 0.0618(16) Uani d . 1 . .
H H16 0.1126 1.0768 0.3595 0.074 Uiso calc R 1 . .
C C17 0.0468(3) 1.1380(7) 0.3337(3) 0.084(2) Uani d . 1 . .
H H17 0.0518 1.2384 0.3286 0.100 Uiso calc R 1 . .
C C18 0.0039(3) 1.0854(8) 0.3236(3) 0.080(2) Uani d . 1 . .
H H18 -0.0203 1.1514 0.3129 0.095 Uiso calc R 1 . .
C C19 -0.00454(19) 0.9387(7) 0.3289(3) 0.0665(17) Uani d . 1 . .
H H19 -0.0342 0.9047 0.3212 0.080 Uiso calc R 1 . .
C C20 0.03162(18) 0.8400(6) 0.3460(2) 0.0526(14) Uani d . 1 . .
H H20 0.0262 0.7394 0.3497 0.063 Uiso calc R 1 . .
C C21 0.18995(16) 0.8670(5) 0.3742(2) 0.0413(12) Uani d . 1 . .
C C22 0.22768(18) 0.8915(6) 0.4213(3) 0.0553(15) Uani d . 1 . .
H H22 0.2283 0.8595 0.4598 0.066 Uiso calc R 1 . .
C C23 0.26495(19) 0.9639(7) 0.4118(3) 0.0706(18) Uani d . 1 . .
H H23 0.2908 0.9784 0.4437 0.085 Uiso calc R 1 . .
C C24 0.2638(2) 1.0132(8) 0.3563(4) 0.085(2) Uani d . 1 . .
H H24 0.2887 1.0628 0.3503 0.102 Uiso calc R 1 . .
C C25 0.2264(2) 0.9912(8) 0.3089(3) 0.098(3) Uani d . 1 . .
H H25 0.2259 1.0255 0.2708 0.117 Uiso calc R 1 . .
C C26 0.18914(19) 0.9175(7) 0.3177(3) 0.0725(19) Uani d . 1 . .
H H26 0.1636 0.9022 0.2854 0.087 Uiso calc R 1 . .
C C27 0.15298(16) 0.5477(5) 0.4274(2) 0.0375(12) Uani d . 1 . .
C C28 0.18933(18) 0.4839(6) 0.4126(2) 0.0545(15) Uani d . 1 . .
H H28 0.2048 0.5363 0.3898 0.065 Uiso calc R 1 . .
C C29 0.2027(2) 0.3410(7) 0.4322(3) 0.0680(17) Uani d . 1 . .
H H29 0.2274 0.2980 0.4228 0.082 Uiso calc R 1 . .
C C30 0.1797(2) 0.2636(6) 0.4651(3) 0.0632(16) Uani d . 1 . .
H H30 0.1886 0.1676 0.4779 0.076 Uiso calc R 1 . .
C C31 0.14364(19) 0.3273(6) 0.4793(3) 0.0584(16) Uani d . 1 . .
H H31 0.1280 0.2738 0.5015 0.070 Uiso calc R 1 . .
C C32 0.12994(16) 0.4711(5) 0.4609(2) 0.0447(13) Uani d . 1 . .
H H32 0.1056 0.5144 0.4713 0.054 Uiso calc R 1 . .
H H1A -0.0042(13) 1.213(6) 0.521(3) 0.09(3) Uiso d D 1 . .
H H2A -0.0141(17) 0.386(5) 0.0615(16) 0.061(19) Uiso d D 1 . .
H H1B 0.0182(19) 1.324(5) 0.5623(19) 0.08(2) Uiso d D 1 . .
H H2B -0.0315(12) 0.450(6) 0.108(2) 0.057(19) Uiso d D 1 . .
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C21 Sb1 C15 . . 109.59(19) y
C21 Sb1 C27 . . 109.92(19) y
C15 Sb1 C27 . . 140.49(19) y
C21 Sb1 O3 . . 87.33(16) y
C15 Sb1 O3 . . 92.36(15) y
C27 Sb1 O3 . . 89.15(15) y
C21 Sb1 O1 . . 87.45(16) y
C15 Sb1 O1 . . 87.74(15) y
C27 Sb1 O1 . . 94.27(15) y
O3 Sb1 O1 . . 174.49(12) y
C6 N1 H1A . . 116(4) ?
C6 N1 H1B . . 108(4) ?
H1A N1 H1B . . 112(6) ?
C13 N2 H2A . . 113(4) ?
C13 N2 H2B . . 116(4) ?
H2A N2 H2B . . 116(5) ?
C1 O1 Sb1 . . 112.2(3) ?
C8 O3 Sb1 . . 113.8(3) ?
O2 C1 O1 . . 122.4(4) ?
O2 C1 C2 . . 119.8(5) ?
O1 C1 C2 . . 117.5(4) ?
C3 C2 C7 . . 118.5(4) ?
C3 C2 C1 . . 125.1(4) ?
C7 C2 C1 . . 116.2(4) ?
C2 C3 C4 . . 120.3(5) ?
C2 C3 Cl1 . . 120.6(4) ?
C4 C3 Cl1 . . 119.0(4) ?
C5 C4 C3 . . 119.9(5) ?
C5 C4 H4 . . 120.0 ?
C3 C4 H4 . . 120.0 ?
C4 C5 C6 . . 120.9(5) ?
C4 C5 H5 . . 119.6 ?
C6 C5 H5 . . 119.6 ?
C7 C6 C5 . . 118.6(5) ?
C7 C6 N1 . . 118.9(5) ?
C5 C6 N1 . . 122.3(5) ?
C6 C7 C2 . . 121.7(5) ?
C6 C7 H7 . . 119.1 ?
C2 C7 H7 . . 119.1 ?
O4 C8 O3 . . 123.2(5) ?
O4 C8 C9 . . 121.8(4) ?
O3 C8 C9 . . 114.9(4) ?
C10 C9 C14 . . 118.6(5) ?
C10 C9 C8 . . 124.7(4) ?
C14 C9 C8 . . 116.6(4) ?
C9 C10 C11 . . 120.1(5) ?
C9 C10 Cl2 . . 121.1(4) ?
C11 C10 Cl2 . . 118.6(4) ?
C12 C11 C10 . . 120.5(5) ?
C12 C11 H11 . . 119.8 ?
C10 C11 H11 . . 119.8 ?
C11 C12 C13 . . 120.9(5) ?
C11 C12 H12 . . 119.6 ?
C13 C12 H12 . . 119.6 ?
C12 C13 N2 . . 121.3(5) ?
C12 C13 C14 . . 117.8(5) ?
N2 C13 C14 . . 120.6(5) ?
C9 C14 C13 . . 122.0(5) ?
C9 C14 H14 . . 119.0 ?
C13 C14 H14 . . 119.0 ?
C20 C15 C16 . . 119.7(5) ?
C20 C15 Sb1 . . 123.9(4) ?
C16 C15 Sb1 . . 116.3(4) ?
C15 C16 C17 . . 120.0(6) ?
C15 C16 H16 . . 120.0 ?
C17 C16 H16 . . 120.0 ?
C18 C17 C16 . . 119.5(6) ?
C18 C17 H17 . . 120.3 ?
C16 C17 H17 . . 120.3 ?
C17 C18 C19 . . 121.6(6) ?
C17 C18 H18 . . 119.2 ?
C19 C18 H18 . . 119.2 ?
C18 C19 C20 . . 119.4(6) ?
C18 C19 H19 . . 120.3 ?
C20 C19 H19 . . 120.3 ?
C15 C20 C19 . . 119.8(5) ?
C15 C20 H20 . . 120.1 ?
C19 C20 H20 . . 120.1 ?
C22 C21 C26 . . 119.3(5) ?
C22 C21 Sb1 . . 120.5(4) ?
C26 C21 Sb1 . . 120.2(4) ?
C21 C22 C23 . . 120.1(5) ?
C21 C22 H22 . . 119.9 ?
C23 C22 H22 . . 119.9 ?
C24 C23 C22 . . 120.1(6) ?
C24 C23 H23 . . 120.0 ?
C22 C23 H23 . . 120.0 ?
C23 C24 C25 . . 120.6(6) ?
C23 C24 H24 . . 119.7 ?
C25 C24 H24 . . 119.7 ?
C24 C25 C26 . . 119.8(7) ?
C24 C25 H25 . . 120.1 ?
C26 C25 H25 . . 120.1 ?
C21 C26 C25 . . 120.0(6) ?
C21 C26 H26 . . 120.0 ?
C25 C26 H26 . . 120.0 ?
C32 C27 C28 . . 120.6(5) ?
C32 C27 Sb1 . . 124.4(4) ?
C28 C27 Sb1 . . 114.8(4) ?
C27 C28 C29 . . 119.5(5) ?
C27 C28 H28 . . 120.2 ?
C29 C28 H28 . . 120.2 ?
C30 C29 C28 . . 120.3(6) ?
C30 C29 H29 . . 119.9 ?
C28 C29 H29 . . 119.9 ?
C29 C30 C31 . . 119.8(5) ?
C29 C30 H30 . . 120.1 ?
C31 C30 H30 . . 120.1 ?
C30 C31 C32 . . 121.0(6) ?
C30 C31 H31 . . 119.5 ?
C32 C31 H31 . . 119.5 ?
C27 C32 C31 . . 118.7(5) ?
C27 C32 H32 . . 120.6 ?
C31 C32 H32 . . 120.6 ?
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
Sb1 C21 . 2.098(5) y
Sb1 C15 . 2.108(5) y
Sb1 C27 . 2.109(5) y
Sb1 O3 . 2.125(3) y
Sb1 O1 . 2.137(3) y
Cl1 C3 . 1.739(5) ?
Cl2 C10 . 1.736(5) ?
N1 C6 . 1.408(7) ?
N1 H1A . 0.86(2) ?
N1 H1B . 0.865(19) ?
N2 C13 . 1.388(6) ?
N2 H2A . 0.847(19) ?
N2 H2B . 0.847(19) ?
O1 C1 . 1.305(5) ?
O2 C1 . 1.231(5) ?
O3 C8 . 1.301(5) ?
O4 C8 . 1.220(5) ?
C1 C2 . 1.488(6) ?
C2 C3 . 1.385(6) ?
C2 C7 . 1.397(6) ?
C3 C4 . 1.390(7) ?
C4 C5 . 1.378(7) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.387(7) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.378(6) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.499(6) ?
C9 C10 . 1.379(6) ?
C9 C14 . 1.388(6) ?
C10 C11 . 1.381(7) ?
C11 C12 . 1.378(7) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.380(6) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.392(6) ?
C14 H14 . 0.9300 ?
C15 C20 . 1.376(6) ?
C15 C16 . 1.381(6) ?
C16 C17 . 1.383(7) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.357(8) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.360(8) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.391(7) ?
C19 H19 . 0.9300 ?
C20 H20 . 0.9300 ?
C21 C22 . 1.369(6) ?
C21 C26 . 1.375(7) ?
C22 C23 . 1.386(7) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.348(8) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.361(9) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.385(7) ?
C25 H25 . 0.9300 ?
C26 H26 . 0.9300 ?
C27 C32 . 1.372(6) ?
C27 C28 . 1.379(6) ?
C28 C29 . 1.388(7) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.364(8) ?
C29 H29 . 0.9300 ?
C30 C31 . 1.366(7) ?
C30 H30 . 0.9300 ?
C31 C32 . 1.391(7) ?
C31 H31 . 0.9300 ?
C32 H32 . 0.9300 ?
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
C32 H32 O2 . 0.93 2.39 3.105(6) 133.7
C20 H20 O4 . 0.93 2.47 3.120(6) 126.7
N1 H1B N2 6_576 0.865(19) 2.43(3) 3.211(8) 150(5)
N1 H1A O2 5_576 0.86(2) 2.43(5) 3.114(6) 137(5)
N2 H2A N1 2_545 0.847(19) 2.44(2) 3.272(7) 169(5)
N2 H2B O4 2 0.847(19) 2.36(3) 3.151(6) 156(5)
C14 H14 O4 2 0.93 2.58 3.369(6) 142.8
C12 H12 O2 6_565 0.93 2.56 3.433(6) 157.0
C23 H23 Cg1 7_566 0.93 2.72 3.567(7) 151
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30655913
