#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/22/2202227.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_2202227
loop_
_publ_author_name
'Li, Xiao-Fang'
'Feng, Ya-Qing'
'Hu Xiao-Fen'
_publ_section_title
;4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9-diazadispiro[4.1.4.2]trideca-2,9-dien-6-one--chloroform--methanol
 (1/1/0.75)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o670
_journal_page_last               o671
_journal_paper_doi               10.1107/S1600536803005543
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'C33 H20 Cl6 N2 O3, C H Cl3, 0.75C H4 O'
_chemical_formula_moiety         'C33 H20 Cl6 N2 O3, C H Cl3, 0.75C H4 O'
_chemical_formula_sum            'C34.75 H24 Cl9 N2 O3.75'
_chemical_formula_weight         848.61
_chemical_melting_point          .535E-305
_chemical_name_systematic
;
4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9-
diazadispiro[4.1.4.2]trideca-2,9-dien-6-one chloroform methanol solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.815(5)
_cell_angle_beta                 101.814(5)
_cell_angle_gamma                103.510(5)
_cell_formula_units_Z            2
_cell_length_a                   9.896(3)
_cell_length_b                   14.724(4)
_cell_length_c                   15.550(5)
_cell_measurement_reflns_used    983
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      3.17
_cell_volume                     1935.7(10)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT and SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker 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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10032
_diffrn_reflns_reduction_process 'SAINT (Bruker, 1998)'
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.24
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             859
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.869
_refine_diff_density_min         -0.392
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         6787
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.084P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1954
_reflns_number_gt                4617
_reflns_number_total             6787
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ww6065.cif
_cod_data_source_block           I
_cod_original_cell_volume        1935.5(10)
_cod_database_code               2202227
_cod_database_fobs_code          2202227
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Cl1 1.43071(16) 0.80436(12) 0.93787(13) 0.0848(5) Uani d . 1 . . Cl
Cl2 0.80995(15) 0.47773(11) 0.48562(10) 0.0645(4) Uani d . 1 . . Cl
Cl3 0.5833(2) 0.55659(15) 0.78489(13) 0.0894(5) Uani d . 1 . . Cl
Cl4 0.62958(18) -0.23588(12) 0.36408(10) 0.0832(5) Uani d . 1 . . Cl
Cl5 1.21776(17) 0.04500(14) 0.83836(12) 0.0828(5) Uani d . 1 . . Cl
Cl6 0.69207(15) 0.00826(11) 0.89947(11) 0.0703(4) Uani d . 1 . . Cl
O1 0.7322(4) 0.2990(3) 0.8195(3) 0.0656(10) Uani d . 1 . . O
O2 0.7584(3) 0.2869(2) 0.6236(2) 0.0473(7) Uani d . 1 . . O
O3 1.0241(3) 0.2756(2) 0.8806(2) 0.0504(8) Uani d . 1 . . O
N1 0.6962(4) 0.3497(3) 0.5905(3) 0.0429(8) Uani d . 1 . . N
N2 1.0459(4) 0.1997(3) 0.9111(3) 0.0480(9) Uani d . 1 . . N
C1 0.8236(5) 0.2923(3) 0.7803(3) 0.0405(10) Uani d . 1 . . C
C2 0.8673(5) 0.3514(3) 0.7219(3) 0.0382(9) Uani d . 1 . . C
C3 1.0151(5) 0.3413(3) 0.7165(4) 0.0476(11) Uani d . 1 . . C
H3A 1.0942 0.3945 0.7746 0.057 Uiso calc R 1 . . H
H3B 1.0334 0.3466 0.6593 0.057 Uiso calc R 1 . . H
C4 1.0001(5) 0.2323(3) 0.7095(3) 0.0450(10) Uani d . 1 . . C
H4A 0.9444 0.1790 0.6435 0.054 Uiso calc R 1 . . H
H4B 1.0959 0.2259 0.7283 0.054 Uiso calc R 1 . . H
C5 0.9193(5) 0.2231(3) 0.7806(3) 0.0393(9) Uani d . 1 . . C
C6 0.8462(4) 0.4586(3) 0.7540(3) 0.0360(9) Uani d . 1 . . C
H6 0.7927 0.4662 0.8013 0.043 Uiso calc R 1 . . H
C7 0.7448(4) 0.4427(3) 0.6582(3) 0.0361(9) Uani d . 1 . . C
C8 0.9889(5) 0.5500(3) 0.7996(3) 0.0377(9) Uani d . 1 . . C
C9 1.0475(5) 0.6066(3) 0.9004(3) 0.0472(11) Uani d . 1 . . C
H9 0.9949 0.5918 0.9396 0.057 Uiso calc R 1 . . H
C10 1.1826(6) 0.6843(4) 0.9433(3) 0.0560(12) Uani d . 1 . . C
H10 1.2214 0.7217 1.0111 0.067 Uiso calc R 1 . . H
C11 1.2597(5) 0.7062(4) 0.8849(4) 0.0506(11) Uani d . 1 . . C
C12 1.2032(5) 0.6521(4) 0.7852(4) 0.0522(11) Uani d . 1 . . C
H12 1.2561 0.6674 0.7464 0.063 Uiso calc R 1 . . H
C13 1.0679(5) 0.5749(3) 0.7427(3) 0.0477(11) Uani d . 1 . . C
H13 1.0290 0.5388 0.6749 0.057 Uiso calc R 1 . . H
C14 0.6989(4) 0.5233(3) 0.6367(3) 0.0413(10) Uani d . 1 . . C
C15 0.7234(5) 0.5449(4) 0.5600(3) 0.0488(11) Uani d . 1 . . C
C16 0.6810(6) 0.6204(4) 0.5403(4) 0.0652(15) Uani d . 1 . . C
H16 0.6985 0.6333 0.4888 0.078 Uiso calc R 1 . . H
C17 0.6124(6) 0.6761(4) 0.5982(5) 0.0744(17) Uani d . 1 . . C
H17 0.5849 0.7274 0.5858 0.089 Uiso calc R 1 . . H
C18 0.5846(6) 0.6569(4) 0.6731(4) 0.0659(15) Uani d . 1 . . C
H18 0.5374 0.6943 0.7113 0.079 Uiso calc R 1 . . H
C19 0.6272(5) 0.5814(4) 0.6918(4) 0.0528(12) Uani d . 1 . . C
C20 0.8377(4) 0.1155(3) 0.7700(3) 0.0372(9) Uani d . 1 . . C
H20 0.7505 0.1191 0.7898 0.045 Uiso calc R 1 . . H
C21 0.9490(5) 0.1117(3) 0.8510(3) 0.0398(9) Uani d . 1 . . C
C22 0.7882(4) 0.0254(3) 0.6694(3) 0.0371(9) Uani d . 1 . . C
C23 0.8840(5) -0.0169(4) 0.6304(3) 0.0493(11) Uani d . 1 . . C
H23 0.9827 0.0085 0.6675 0.059 Uiso calc R 1 . . H
C24 0.8357(5) -0.0975(4) 0.5360(3) 0.0522(12) Uani d . 1 . . C
H24 0.9015 -0.1253 0.5100 0.063 Uiso calc R 1 . . H
C25 0.6894(5) -0.1351(3) 0.4818(3) 0.0488(11) Uani d . 1 . . C
C26 0.5906(5) -0.0948(4) 0.5189(3) 0.0494(11) Uani d . 1 . . C
H26 0.4919 -0.1212 0.4816 0.059 Uiso calc R 1 . . H
C27 0.6400(5) -0.0143(3) 0.6126(3) 0.0451(10) Uani d . 1 . . C
H27 0.5738 0.0136 0.6380 0.054 Uiso calc R 1 . . H
C28 0.9493(5) 0.0167(3) 0.8628(3) 0.0442(11) Uani d . 1 . . C
C29 1.0644(6) -0.0218(4) 0.8551(3) 0.0591(13) Uani d . 1 . . C
C30 1.0588(9) -0.1149(5) 0.8610(4) 0.082(2) Uani d . 1 . . C
H30 1.1353 -0.1406 0.8539 0.099 Uiso calc R 1 . . H
C31 0.9427(10) -0.1682(5) 0.8770(4) 0.092(2) Uani d . 1 . . C
H31 0.9401 -0.2303 0.8803 0.110 Uiso calc R 1 . . H
C32 0.8290(8) -0.1315(4) 0.8884(4) 0.0759(18) Uani d . 1 . . C
H32 0.7508 -0.1672 0.9012 0.091 Uiso calc R 1 . . H
C33 0.8329(6) -0.0396(4) 0.8804(3) 0.0562(13) Uani d . 1 . . C
C34 0.2388(5) 0.8183(4) 0.5982(3) 0.0537(12) Uani d . 1 . . C
H34 0.2587 0.7695 0.5434 0.064 Uiso calc R 1 . . H
Cl7 0.06771(16) 0.75603(13) 0.60192(14) 0.0853(5) Uani d . 1 . . Cl
Cl8 0.23653(15) 0.92778(11) 0.57808(10) 0.0666(4) Uani d . 1 . . Cl
Cl9 0.37803(15) 0.85353(12) 0.70606(10) 0.0685(4) Uani d . 1 . . Cl
O4 0.4023(19) 0.4088(13) 0.8868(14) 0.192(5) Uani d PDU 0.50 . . O
C35 0.4291(18) 0.3249(15) 0.9069(13) 0.126(5) Uani d PDU 0.50 . . C
O5 0.5000 0.5000 1.0000 0.160(6) Uani d SPDU 0.50 . . O
C36 0.354(2) 0.504(3) 0.992(3) 0.135(9) Uani d PDU 0.25 . . C
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'
N N 0.0061 0.0033 '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'
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
N1 O2 C2 . . 109.9(3) y
N2 O3 C5 . . 108.9(3) y
C7 N1 O2 . . 109.6(3) y
C21 N2 O3 . . 109.1(3) y
O1 C1 C2 . . 125.9(4) ?
O1 C1 C5 . . 125.8(4) y
C2 C1 C5 . . 108.2(3) ?
O2 C2 C3 . . 108.1(3) ?
O2 C2 C1 . . 103.3(3) y
C3 C2 C1 . . 103.7(3) ?
O2 C2 C6 . . 104.5(3) y
C3 C2 C6 . . 120.8(4) ?
C1 C2 C6 . . 115.0(3) ?
C2 C3 C4 . . 103.6(3) ?
C2 C3 H3A . . 111.0 ?
C4 C3 H3A . . 111.0 ?
C2 C3 H3B . . 111.0 ?
C4 C3 H3B . . 111.0 ?
H3A C3 H3B . . 109.0 ?
C5 C4 C3 . . 104.4(3) ?
C5 C4 H4A . . 110.9 ?
C3 C4 H4A . . 110.9 ?
C5 C4 H4B . . 110.9 ?
C3 C4 H4B . . 110.9 ?
H4A C4 H4B . . 108.9 ?
O3 C5 C4 . . 109.4(3) ?
O3 C5 C20 . . 103.7(3) y
C4 C5 C20 . . 119.8(3) ?
O3 C5 C1 . . 104.3(3) ?
C4 C5 C1 . . 104.1(3) ?
C20 C5 C1 . . 114.5(3) ?
C7 C6 C8 . . 116.2(3) ?
C7 C6 C2 . . 100.1(3) y
C8 C6 C2 . . 113.8(3) ?
C7 C6 H6 . . 108.8 ?
C8 C6 H6 . . 108.8 ?
C2 C6 H6 . . 108.8 ?
N1 C7 C14 . . 118.4(4) ?
N1 C7 C6 . . 114.8(3) ?
C14 C7 C6 . . 126.8(3) ?
C13 C8 C9 . . 118.5(4) ?
C13 C8 C6 . . 121.3(4) ?
C9 C8 C6 . . 120.1(4) ?
C10 C9 C8 . . 120.8(4) ?
C10 C9 H9 . . 119.6 ?
C8 C9 H9 . . 119.6 ?
C9 C10 C11 . . 119.3(4) ?
C9 C10 H10 . . 120.3 ?
C11 C10 H10 . . 120.3 ?
C12 C11 C10 . . 120.8(4) ?
C12 C11 Cl1 . . 119.2(4) ?
C10 C11 Cl1 . . 120.0(4) ?
C11 C12 C13 . . 119.6(5) ?
C11 C12 H12 . . 120.2 ?
C13 C12 H12 . . 120.2 ?
C12 C13 C8 . . 120.9(4) ?
C12 C13 H13 . . 119.6 ?
C8 C13 H13 . . 119.6 ?
C15 C14 C19 . . 115.9(4) ?
C15 C14 C7 . . 122.2(4) ?
C19 C14 C7 . . 121.8(4) ?
C16 C15 C14 . . 122.1(5) ?
C16 C15 Cl2 . . 117.4(4) ?
C14 C15 Cl2 . . 120.5(3) ?
C17 C16 C15 . . 119.2(5) ?
C17 C16 H16 . . 120.4 ?
C15 C16 H16 . . 120.4 ?
C18 C17 C16 . . 120.9(5) ?
C18 C17 H17 . . 119.6 ?
C16 C17 H17 . . 119.6 ?
C17 C18 C19 . . 119.3(5) ?
C17 C18 H18 . . 120.3 ?
C19 C18 H18 . . 120.3 ?
C18 C19 C14 . . 122.6(5) ?
C18 C19 Cl3 . . 117.6(4) ?
C14 C19 Cl3 . . 119.8(3) ?
C22 C20 C21 . . 116.7(3) ?
C22 C20 C5 . . 116.8(3) ?
C21 C20 C5 . . 99.2(3) ?
C22 C20 H20 . . 107.8 ?
C21 C20 H20 . . 107.8 ?
C5 C20 H20 . . 107.8 ?
N2 C21 C28 . . 120.8(4) ?
N2 C21 C20 . . 114.2(4) ?
C28 C21 C20 . . 125.0(4) ?
C23 C22 C27 . . 118.6(4) ?
C23 C22 C20 . . 122.5(4) ?
C27 C22 C20 . . 118.8(4) ?
C22 C23 C24 . . 121.0(4) ?
C22 C23 H23 . . 119.5 ?
C24 C23 H23 . . 119.5 ?
C25 C24 C23 . . 119.1(4) ?
C25 C24 H24 . . 120.5 ?
C23 C24 H24 . . 120.5 ?
C26 C25 C24 . . 121.3(4) ?
C26 C25 Cl4 . . 119.8(4) ?
C24 C25 Cl4 . . 118.9(4) ?
C25 C26 C27 . . 119.2(4) ?
C25 C26 H26 . . 120.4 ?
C27 C26 H26 . . 120.4 ?
C26 C27 C22 . . 120.8(4) ?
C26 C27 H27 . . 119.6 ?
C22 C27 H27 . . 119.6 ?
C33 C28 C29 . . 116.9(4) ?
C33 C28 C21 . . 121.4(4) ?
C29 C28 C21 . . 121.7(4) ?
C28 C29 C30 . . 120.8(6) ?
C28 C29 Cl5 . . 120.6(4) ?
C30 C29 Cl5 . . 118.6(5) ?
C31 C30 C29 . . 120.5(6) ?
C31 C30 H30 . . 119.7 ?
C29 C30 H30 . . 119.7 ?
C30 C31 C32 . . 120.8(5) ?
C30 C31 H31 . . 119.6 ?
C32 C31 H31 . . 119.6 ?
C31 C32 C33 . . 118.7(6) ?
C31 C32 H32 . . 120.6 ?
C33 C32 H32 . . 120.6 ?
C28 C33 C32 . . 122.2(6) ?
C28 C33 Cl6 . . 119.6(3) ?
C32 C33 Cl6 . . 118.2(5) ?
Cl9 C34 Cl7 . . 110.8(3) ?
Cl9 C34 Cl8 . . 110.7(3) ?
Cl7 C34 Cl8 . . 110.5(3) ?
Cl9 C34 H34 . . 108.3 ?
Cl7 C34 H34 . . 108.3 ?
Cl8 C34 H34 . . 108.3 ?
C35 O4 O5 . . 93.8(13) ?
C36 O5 C36 2_667 . 180.000(15) ?
C36 O5 O4 2_667 . 102.6(18) ?
C36 O5 O4 . . 77.4(18) ?
C36 O5 O4 2_667 2_667 77.4(18) ?
C36 O5 O4 . 2_667 102.6(18) ?
O4 O5 O4 . 2_667 180.000(7) ?
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
Cl1 C11 . 1.742(5) y
Cl2 C15 . 1.733(5) ?
Cl3 C19 . 1.730(5) ?
Cl4 C25 . 1.741(5) ?
Cl5 C29 . 1.730(6) ?
Cl6 C33 . 1.731(6) ?
O1 C1 . 1.192(5) y
O2 N1 . 1.410(4) y
O2 C2 . 1.472(5) ?
O3 N2 . 1.410(4) y
O3 C5 . 1.471(5) ?
N1 C7 . 1.276(5) ?
N2 C21 . 1.274(6) ?
C1 C2 . 1.531(6) ?
C1 C5 . 1.544(6) ?
C2 C3 . 1.521(6) ?
C2 C6 . 1.547(5) ?
C3 C4 . 1.537(6) ?
C3 H3A . 0.9700 ?
C3 H3B . 0.9700 ?
C4 C5 . 1.517(6) ?
C4 H4A . 0.9700 ?
C4 H4B . 0.9700 ?
C5 C20 . 1.532(6) ?
C6 C7 . 1.516(5) ?
C6 C8 . 1.517(6) ?
C6 H6 . 0.9800 ?
C7 C14 . 1.487(5) ?
C8 C13 . 1.384(6) ?
C8 C9 . 1.386(6) ?
C9 C10 . 1.377(7) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.377(7) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.368(7) ?
C12 C13 . 1.374(6) ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C14 C15 . 1.395(6) ?
C14 C19 . 1.399(6) ?
C15 C16 . 1.386(7) ?
C16 C17 . 1.379(8) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.360(9) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.382(7) ?
C18 H18 . 0.9300 ?
C20 C22 . 1.513(6) ?
C20 C21 . 1.521(5) ?
C20 H20 . 0.9800 ?
C21 C28 . 1.476(6) ?
C22 C23 . 1.373(6) ?
C22 C27 . 1.400(6) ?
C23 C24 . 1.394(6) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.375(6) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.374(7) ?
C26 C27 . 1.385(6) ?
C26 H26 . 0.9300 ?
C27 H27 . 0.9300 ?
C28 C33 . 1.393(7) ?
C28 C29 . 1.393(7) ?
C29 C30 . 1.397(8) ?
C30 C31 . 1.356(10) ?
C30 H30 . 0.9300 ?
C31 C32 . 1.372(10) ?
C31 H31 . 0.9300 ?
C32 C33 . 1.397(7) ?
C32 H32 . 0.9300 ?
C34 Cl9 . 1.748(5) ?
C34 Cl7 . 1.751(5) ?
C34 Cl8 . 1.756(5) ?
C34 H34 . 0.9800 ?
O4 C35 . 1.449(10) ?
O4 O5 . 1.667(18) ?
O5 C36 2_667 1.438(10) ?
O5 C36 . 1.438(10) ?
O5 O4 2_667 1.667(18) ?
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_4
_geom_torsion
C2 O2 N1 C7 . -4.7(4)
C5 O3 N2 C21 . -12.0(5)
N1 O2 C2 C3 . -120.1(3)
N1 O2 C2 C1 . 130.4(3)
N1 O2 C2 C6 . 9.7(4)
O1 C1 C2 O2 . -84.5(5)
C5 C1 C2 O2 . 96.1(4)
O1 C1 C2 C3 . 162.8(5)
C5 C1 C2 C3 . -16.7(4)
O1 C1 C2 C6 . 28.7(6)
C5 C1 C2 C6 . -150.8(3)
O2 C2 C3 C4 . -74.5(4)
C1 C2 C3 C4 . 34.7(4)
C6 C2 C3 C4 . 165.4(4)
C2 C3 C4 C5 . -40.7(4)
N2 O3 C5 C4 . -107.8(4)
N2 O3 C5 C20 . 21.1(4)
N2 O3 C5 C1 . 141.3(3)
C3 C4 C5 O3 . -81.5(4)
C3 C4 C5 C20 . 159.1(4)
C3 C4 C5 C1 . 29.6(4)
O1 C1 C5 O3 . -72.9(5)
C2 C1 C5 O3 . 106.6(4)
O1 C1 C5 C4 . 172.4(5)
C2 C1 C5 C4 . -8.1(4)
O1 C1 C5 C20 . 39.7(6)
C2 C1 C5 C20 . -140.8(3)
O2 C2 C6 C7 . -10.2(4)
C3 C2 C6 C7 . 111.6(4)
C1 C2 C6 C7 . -122.7(4)
O2 C2 C6 C8 . -134.8(3)
C3 C2 C6 C8 . -13.0(5)
C1 C2 C6 C8 . 112.7(4)
O2 N1 C7 C14 . 176.8(3)
O2 N1 C7 C6 . -2.9(5)
C8 C6 C7 N1 . 131.5(4)
C2 C6 C7 N1 . 8.5(5)
C8 C6 C7 C14 . -48.1(5)
C2 C6 C7 C14 . -171.1(4)
C7 C6 C8 C13 . -39.8(5)
C2 C6 C8 C13 . 75.7(5)
C7 C6 C8 C9 . 144.3(4)
C2 C6 C8 C9 . -100.3(4)
C13 C8 C9 C10 . -1.3(6)
C6 C8 C9 C10 . 174.7(4)
C8 C9 C10 C11 . 0.3(7)
C9 C10 C11 C12 . 0.4(7)
C9 C10 C11 Cl1 . 180.0(4)
C10 C11 C12 C13 . 0.0(7)
Cl1 C11 C12 C13 . -179.6(4)
C11 C12 C13 C8 . -1.0(7)
C9 C8 C13 C12 . 1.7(6)
C6 C8 C13 C12 . -174.3(4)
N1 C7 C14 C15 . -57.0(6)
C6 C7 C14 C15 . 122.6(5)
N1 C7 C14 C19 . 122.3(5)
C6 C7 C14 C19 . -58.0(6)
C19 C14 C15 C16 . 0.8(7)
C7 C14 C15 C16 . -179.8(4)
C19 C14 C15 Cl2 . -179.5(3)
C7 C14 C15 Cl2 . -0.1(6)
C14 C15 C16 C17 . 0.0(8)
Cl2 C15 C16 C17 . -179.6(4)
C15 C16 C17 C18 . -0.8(8)
C16 C17 C18 C19 . 0.7(9)
C17 C18 C19 C14 . 0.2(8)
C17 C18 C19 Cl3 . -177.7(4)
C15 C14 C19 C18 . -0.9(7)
C7 C14 C19 C18 . 179.7(4)
C15 C14 C19 Cl3 . 176.9(3)
C7 C14 C19 Cl3 . -2.6(6)
O3 C5 C20 C22 . -146.8(3)
C4 C5 C20 C22 . -24.6(5)
C1 C5 C20 C22 . 100.2(4)
O3 C5 C20 C21 . -20.5(4)
C4 C5 C20 C21 . 101.7(4)
C1 C5 C20 C21 . -133.5(3)
O3 N2 C21 C28 . 177.4(4)
O3 N2 C21 C20 . -3.0(5)
C22 C20 C21 N2 . 141.8(4)
C5 C20 C21 N2 . 15.5(5)
C22 C20 C21 C28 . -38.5(6)
C5 C20 C21 C28 . -164.9(4)
C21 C20 C22 C23 . -42.4(6)
C5 C20 C22 C23 . 74.7(5)
C21 C20 C22 C27 . 139.6(4)
C5 C20 C22 C27 . -103.3(4)
C27 C22 C23 C24 . 0.3(7)
C20 C22 C23 C24 . -177.6(4)
C22 C23 C24 C25 . -0.4(7)
C23 C24 C25 C26 . 0.1(7)
C23 C24 C25 Cl4 . -179.8(4)
C24 C25 C26 C27 . 0.3(7)
Cl4 C25 C26 C27 . -179.8(3)
C25 C26 C27 C22 . -0.4(7)
C23 C22 C27 C26 . 0.1(6)
C20 C22 C27 C26 . 178.1(4)
N2 C21 C28 C33 . 117.0(5)
C20 C21 C28 C33 . -62.6(6)
N2 C21 C28 C29 . -64.1(6)
C20 C21 C28 C29 . 116.3(5)
C33 C28 C29 C30 . 2.5(7)
C21 C28 C29 C30 . -176.4(4)
C33 C28 C29 Cl5 . -177.3(3)
C21 C28 C29 Cl5 . 3.8(6)
C28 C29 C30 C31 . -1.8(8)
Cl5 C29 C30 C31 . 178.1(5)
C29 C30 C31 C32 . -0.4(9)
C30 C31 C32 C33 . 1.8(9)
C29 C28 C33 C32 . -1.1(7)
C21 C28 C33 C32 . 177.8(4)
C29 C28 C33 Cl6 . 175.4(3)
C21 C28 C33 Cl6 . -5.7(6)
C31 C32 C33 C28 . -1.0(8)
C31 C32 C33 Cl6 . -177.6(4)
C35 O4 O5 C36 2_667 64(2)
C35 O4 O5 C36 . -116(2)
C35 O4 O5 O4 2_667 -13E1(5)
