#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/26/8102622.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8102622
loop_
_publ_author_name
'Zhao-Hui Hou'
'Bin Liu'
_publ_section_title
;
 Crystal structure of
 1'-(2-chlorophenyl)-5,5',6,6',7',7a'-hexahydro-1'H-dispiro[imidazo[2,1-b][1,3]thiazole-2,2'-pyrrolizine-3',3''-indole]-2'',3(1''H)-dione,
 C24H21ClN4O2S
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              117
_journal_volume                  225
_journal_year                    2010
_chemical_formula_sum            'C24 H21 Cl N4 O2 S'
_chemical_formula_weight         464.96
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2009-12-04 # Formatted by publCIF
;
_cell_angle_alpha                78.984(7)
_cell_angle_beta                 81.867(10)
_cell_angle_gamma                81.718(11)
_cell_formula_units_Z            2
_cell_length_a                   8.6798(18)
_cell_length_b                   11.078(2)
_cell_length_c                   11.372(2)
_cell_measurement_reflns_used    2350
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      67.5
_cell_measurement_theta_min      21.5
_cell_volume                     1054.8(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Rigaku Saturn CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0752
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21105
_diffrn_reflns_theta_full        67.75
_diffrn_reflns_theta_max         72.06
_diffrn_reflns_theta_min         3.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.784
_exptl_absorpt_correction_T_max  0.6060
_exptl_absorpt_correction_T_min  0.5095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.405
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       0.0128(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         3986
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0433
_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)+(0.0802P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1131
_reflns_number_gt                3512
_reflns_number_total             3986
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2859.cff
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1054.8(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102622
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.24861(7) 0.40648(4) 0.48838(4) 0.03409(17) Uani 1 1 d . . .
S1 S 0.43258(5) 0.19148(3) 0.16037(3) 0.01711(15) Uani 1 1 d . . .
O1 O 0.13769(14) 0.10571(11) 0.44297(10) 0.0206(3) Uani 1 1 d . . .
O2 O 0.21446(14) 0.28209(11) -0.03632(10) 0.0211(3) Uani 1 1 d . . .
N1 N 0.37173(17) 0.02732(13) 0.35068(12) 0.0179(3) Uani 1 1 d . . .
N2 N 0.60368(17) -0.02950(13) 0.24368(12) 0.0202(3) Uani 1 1 d . . .
N3 N 0.20977(17) 0.07131(13) -0.01187(12) 0.0182(3) Uani 1 1 d . . .
N4 N -0.03261(16) 0.24825(12) 0.17028(12) 0.0174(3) Uani 1 1 d . . .
C1 C 0.22952(19) 0.20199(14) 0.23784(13) 0.0150(3) Uani 1 1 d . . .
C2 C 0.2381(2) 0.10826(15) 0.35725(13) 0.0162(3) Uani 1 1 d . . .
C3 C 0.4828(2) 0.05014(15) 0.25168(13) 0.0165(3) Uani 1 1 d . . .
C4 C 0.4173(2) -0.09606(15) 0.41941(15) 0.0219(4) Uani 1 1 d . . .
H4A H 0.3472 -0.1565 0.4119 0.026 Uiso 1 1 calc R . .
H4B H 0.4192 -0.0936 0.5058 0.026 Uiso 1 1 calc R . .
C5 C 0.5847(2) -0.12500(16) 0.35418(15) 0.0228(4) Uani 1 1 d . . .
H5A H 0.6644 -0.1226 0.4076 0.027 Uiso 1 1 calc R . .
H5B H 0.5979 -0.2086 0.3324 0.027 Uiso 1 1 calc R . .
C6 C 0.15375(19) 0.33307(14) 0.26047(14) 0.0163(3) Uani 1 1 d . . .
H6 H 0.1057 0.3231 0.3465 0.020 Uiso 1 1 calc R . .
C7 C 0.0155(2) 0.36758(15) 0.18111(14) 0.0179(3) Uani 1 1 d . . .
H7 H 0.0509 0.4145 0.0999 0.021 Uiso 1 1 calc R . .
C8 C 0.11006(19) 0.16210(15) 0.15955(13) 0.0150(3) Uani 1 1 d . . .
C9 C 0.18421(19) 0.18303(15) 0.02409(14) 0.0169(3) Uani 1 1 d . . .
C10 C 0.15500(19) -0.02286(15) 0.07815(14) 0.0165(3) Uani 1 1 d . . .
C11 C 0.09088(19) 0.02528(15) 0.18252(14) 0.0160(3) Uani 1 1 d . . .
C12 C 0.0259(2) -0.05294(15) 0.28191(14) 0.0190(4) Uani 1 1 d . . .
H12 H -0.0177 -0.0220 0.3533 0.023 Uiso 1 1 calc R . .
C13 C 0.0256(2) -0.17737(16) 0.27560(16) 0.0217(4) Uani 1 1 d . . .
H13 H -0.0187 -0.2314 0.3431 0.026 Uiso 1 1 calc R . .
C14 C 0.0894(2) -0.22283(16) 0.17121(16) 0.0228(4) Uani 1 1 d . . .
H14 H 0.0880 -0.3078 0.1684 0.027 Uiso 1 1 calc R . .
C15 C 0.1554(2) -0.14631(15) 0.07089(15) 0.0214(4) Uani 1 1 d . . .
H15 H 0.1992 -0.1777 -0.0003 0.026 Uiso 1 1 calc R . .
C16 C -0.1309(2) 0.43859(16) 0.24054(16) 0.0237(4) Uani 1 1 d . . .
H16A H -0.1688 0.5132 0.1843 0.028 Uiso 1 1 calc R . .
H16B H -0.1082 0.4641 0.3145 0.028 Uiso 1 1 calc R . .
C17 C -0.2531(2) 0.34589(17) 0.27121(18) 0.0287(4) Uani 1 1 d . . .
H17A H -0.3134 0.3511 0.3511 0.034 Uiso 1 1 calc R . .
H17B H -0.3268 0.3617 0.2095 0.034 Uiso 1 1 calc R . .
C18 C -0.1555(2) 0.21991(16) 0.27193(16) 0.0220(4) Uani 1 1 d . . .
H18A H -0.1101 0.1902 0.3489 0.026 Uiso 1 1 calc R . .
H18B H -0.2182 0.1573 0.2577 0.026 Uiso 1 1 calc R . .
C19 C 0.2614(2) 0.43184(15) 0.24310(14) 0.0179(3) Uani 1 1 d . . .
C20 C 0.3102(2) 0.47270(15) 0.33957(15) 0.0208(4) Uani 1 1 d . . .
C21 C 0.4077(2) 0.56475(16) 0.32325(17) 0.0261(4) Uani 1 1 d . . .
H21 H 0.4377 0.5904 0.3909 0.031 Uiso 1 1 calc R . .
C22 C 0.4612(2) 0.61903(16) 0.20712(18) 0.0266(4) Uani 1 1 d . . .
H22 H 0.5288 0.6817 0.1945 0.032 Uiso 1 1 calc R . .
C23 C 0.4147(2) 0.58077(16) 0.10959(16) 0.0253(4) Uani 1 1 d . . .
H23 H 0.4500 0.6179 0.0298 0.030 Uiso 1 1 calc R . .
C24 C 0.3173(2) 0.48903(16) 0.12801(15) 0.0222(4) Uani 1 1 d . . .
H24 H 0.2874 0.4641 0.0599 0.027 Uiso 1 1 calc R . .
H1 H 0.255(3) 0.064(2) -0.085(2) 0.032(6) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
N N 0.0311 0.0180 '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'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 S1 C1 91.34(8) . . ?
C2 N1 C3 118.08(13) . . ?
C2 N1 C4 132.63(14) . . ?
C3 N1 C4 108.49(13) . . ?
C3 N2 C5 105.37(14) . . ?
C9 N3 C10 112.22(13) . . ?
C9 N3 H1 120.9(15) . . ?
C10 N3 H1 126.9(15) . . ?
C8 N4 C7 106.79(13) . . ?
C8 N4 C18 119.35(13) . . ?
C7 N4 C18 106.15(12) . . ?
C2 C1 C6 111.70(12) . . ?
C2 C1 C8 109.24(13) . . ?
C6 C1 C8 103.51(12) . . ?
C2 C1 S1 104.85(11) . . ?
C6 C1 S1 116.29(11) . . ?
C8 C1 S1 111.25(10) . . ?
O1 C2 N1 125.06(15) . . ?
O1 C2 C1 124.45(15) . . ?
N1 C2 C1 110.46(13) . . ?
N2 C3 N1 117.43(14) . . ?
N2 C3 S1 130.89(13) . . ?
N1 C3 S1 111.62(12) . . ?
N1 C4 C5 99.92(13) . . ?
N1 C4 H4A 111.8 . . ?
C5 C4 H4A 111.8 . . ?
N1 C4 H4B 111.8 . . ?
C5 C4 H4B 111.8 . . ?
H4A C4 H4B 109.5 . . ?
N2 C5 C4 107.58(13) . . ?
N2 C5 H5A 110.2 . . ?
C4 C5 H5A 110.2 . . ?
N2 C5 H5B 110.2 . . ?
C4 C5 H5B 110.2 . . ?
H5A C5 H5B 108.5 . . ?
C19 C6 C1 117.03(14) . . ?
C19 C6 C7 113.84(13) . . ?
C1 C6 C7 105.08(12) . . ?
C19 C6 H6 106.8 . . ?
C1 C6 H6 106.8 . . ?
C7 C6 H6 106.8 . . ?
N4 C7 C16 105.48(14) . . ?
N4 C7 C6 105.24(12) . . ?
C16 C7 C6 113.85(13) . . ?
N4 C7 H7 110.7 . . ?
C16 C7 H7 110.7 . . ?
C6 C7 H7 110.7 . . ?
N4 C8 C11 116.83(14) . . ?
N4 C8 C9 108.11(12) . . ?
C11 C8 C9 101.84(12) . . ?
N4 C8 C1 106.18(12) . . ?
C11 C8 C1 115.78(12) . . ?
C9 C8 C1 107.48(13) . . ?
O2 C9 N3 126.81(15) . . ?
O2 C9 C8 125.72(14) . . ?
N3 C9 C8 107.47(13) . . ?
C15 C10 N3 127.81(15) . . ?
C15 C10 C11 121.99(16) . . ?
N3 C10 C11 110.17(14) . . ?
C12 C11 C10 119.27(15) . . ?
C12 C11 C8 132.62(14) . . ?
C10 C11 C8 108.11(14) . . ?
C11 C12 C13 119.24(15) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C14 C13 C12 120.45(17) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 121.26(16) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C10 C15 C14 117.79(15) . . ?
C10 C15 H15 121.1 . . ?
C14 C15 H15 121.1 . . ?
C7 C16 C17 104.65(13) . . ?
C7 C16 H16A 110.8 . . ?
C17 C16 H16A 110.8 . . ?
C7 C16 H16B 110.8 . . ?
C17 C16 H16B 110.8 . . ?
H16A C16 H16B 108.9 . . ?
C18 C17 C16 104.10(15) . . ?
C18 C17 H17A 110.9 . . ?
C16 C17 H17A 110.9 . . ?
C18 C17 H17B 110.9 . . ?
C16 C17 H17B 110.9 . . ?
H17A C17 H17B 109.0 . . ?
N4 C18 C17 101.57(14) . . ?
N4 C18 H18A 111.5 . . ?
C17 C18 H18A 111.5 . . ?
N4 C18 H18B 111.5 . . ?
C17 C18 H18B 111.5 . . ?
H18A C18 H18B 109.3 . . ?
C24 C19 C20 116.04(16) . . ?
C24 C19 C6 121.04(15) . . ?
C20 C19 C6 122.91(15) . . ?
C21 C20 C19 122.76(17) . . ?
C21 C20 Cl1 117.18(13) . . ?
C19 C20 Cl1 120.06(14) . . ?
C20 C21 C22 119.36(17) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C21 C22 C23 119.26(18) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C24 C23 C22 120.37(17) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C19 122.21(16) . . ?
C23 C24 H24 118.9 . . ?
C19 C24 H24 118.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 C20 1.7522(18) . ?
S1 C3 1.7407(16) . ?
S1 C1 1.8539(17) . ?
O1 C2 1.211(2) . ?
O2 C9 1.220(2) . ?
N1 C2 1.363(2) . ?
N1 C3 1.384(2) . ?
N1 C4 1.469(2) . ?
N2 C3 1.275(2) . ?
N2 C5 1.486(2) . ?
N3 C9 1.355(2) . ?
N3 C10 1.400(2) . ?
N3 H1 0.88(2) . ?
N4 C8 1.456(2) . ?
N4 C7 1.474(2) . ?
N4 C18 1.477(2) . ?
C1 C2 1.548(2) . ?
C1 C6 1.558(2) . ?
C1 C8 1.614(2) . ?
C4 C5 1.555(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C19 1.507(2) . ?
C6 C7 1.563(2) . ?
C6 H6 1.0000 . ?
C7 C16 1.537(2) . ?
C7 H7 1.0000 . ?
C8 C11 1.517(2) . ?
C8 C9 1.571(2) . ?
C10 C15 1.385(2) . ?
C10 C11 1.404(2) . ?
C11 C12 1.390(2) . ?
C12 C13 1.394(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.390(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.390(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.540(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.524(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C24 1.394(2) . ?
C19 C20 1.401(2) . ?
C20 C21 1.387(3) . ?
C21 C22 1.387(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.389(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H1 N2 0.88(2) 2.10(2) 2.971(2) 170(2) 2_655
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C3 S1 C1 C2 17.34(11) . . . . ?
C3 S1 C1 C6 141.23(11) . . . . ?
C3 S1 C1 C8 -100.62(11) . . . . ?
C3 N1 C2 O1 -173.38(15) . . . . ?
C4 N1 C2 O1 18.2(3) . . . . ?
C3 N1 C2 C1 8.4(2) . . . . ?
C4 N1 C2 C1 -159.95(16) . . . . ?
C6 C1 C2 O1 37.6(2) . . . . ?
C8 C1 C2 O1 -76.26(19) . . . . ?
S1 C1 C2 O1 164.42(14) . . . . ?
C6 C1 C2 N1 -144.15(14) . . . . ?
C8 C1 C2 N1 101.94(15) . . . . ?
S1 C1 C2 N1 -17.38(15) . . . . ?
C5 N2 C3 N1 -1.89(19) . . . . ?
C5 N2 C3 S1 175.10(13) . . . . ?
C2 N1 C3 N2 -176.64(14) . . . . ?
C4 N1 C3 N2 -5.6(2) . . . . ?
C2 N1 C3 S1 5.81(19) . . . . ?
C4 N1 C3 S1 176.82(11) . . . . ?
C1 S1 C3 N2 168.82(16) . . . . ?
C1 S1 C3 N1 -14.05(12) . . . . ?
C2 N1 C4 C5 178.86(16) . . . . ?
C3 N1 C4 C5 9.66(16) . . . . ?
C3 N2 C5 C4 8.22(18) . . . . ?
N1 C4 C5 N2 -10.75(16) . . . . ?
C2 C1 C6 C19 107.20(16) . . . . ?
C8 C1 C6 C19 -135.39(13) . . . . ?
S1 C1 C6 C19 -13.08(17) . . . . ?
C2 C1 C6 C7 -125.40(14) . . . . ?
C8 C1 C6 C7 -7.99(15) . . . . ?
S1 C1 C6 C7 114.32(12) . . . . ?
C8 N4 C7 C16 -158.43(12) . . . . ?
C18 N4 C7 C16 -30.09(16) . . . . ?
C8 N4 C7 C6 -37.75(15) . . . . ?
C18 N4 C7 C6 90.59(14) . . . . ?
C19 C6 C7 N4 156.75(13) . . . . ?
C1 C6 C7 N4 27.44(16) . . . . ?
C19 C6 C7 C16 -88.23(17) . . . . ?
C1 C6 C7 C16 142.45(14) . . . . ?
C7 N4 C8 C11 163.22(13) . . . . ?
C18 N4 C8 C11 43.02(19) . . . . ?
C7 N4 C8 C9 -82.74(14) . . . . ?
C18 N4 C8 C9 157.06(14) . . . . ?
C7 N4 C8 C1 32.35(15) . . . . ?
C18 N4 C8 C1 -87.84(16) . . . . ?
C2 C1 C8 N4 104.98(14) . . . . ?
C6 C1 C8 N4 -14.14(15) . . . . ?
S1 C1 C8 N4 -139.74(11) . . . . ?
C2 C1 C8 C11 -26.48(18) . . . . ?
C6 C1 C8 C11 -145.59(13) . . . . ?
S1 C1 C8 C11 88.80(14) . . . . ?
C2 C1 C8 C9 -139.50(13) . . . . ?
C6 C1 C8 C9 101.38(13) . . . . ?
S1 C1 C8 C9 -24.22(14) . . . . ?
C10 N3 C9 O2 -177.34(16) . . . . ?
C10 N3 C9 C8 3.48(18) . . . . ?
N4 C8 C9 O2 52.9(2) . . . . ?
C11 C8 C9 O2 176.57(16) . . . . ?
C1 C8 C9 O2 -61.3(2) . . . . ?
N4 C8 C9 N3 -127.87(14) . . . . ?
C11 C8 C9 N3 -4.24(16) . . . . ?
C1 C8 C9 N3 117.90(14) . . . . ?
C9 N3 C10 C15 176.92(16) . . . . ?
C9 N3 C10 C11 -1.15(19) . . . . ?
C15 C10 C11 C12 0.1(2) . . . . ?
N3 C10 C11 C12 178.33(14) . . . . ?
C15 C10 C11 C8 179.98(14) . . . . ?
N3 C10 C11 C8 -1.82(18) . . . . ?
N4 C8 C11 C12 -59.1(2) . . . . ?
C9 C8 C11 C12 -176.61(17) . . . . ?
C1 C8 C11 C12 67.1(2) . . . . ?
N4 C8 C11 C10 121.09(14) . . . . ?
C9 C8 C11 C10 3.57(16) . . . . ?
C1 C8 C11 C10 -112.67(15) . . . . ?
C10 C11 C12 C13 -0.2(2) . . . . ?
C8 C11 C12 C13 -179.98(16) . . . . ?
C11 C12 C13 C14 0.0(3) . . . . ?
C12 C13 C14 C15 0.1(3) . . . . ?
N3 C10 C15 C14 -177.82(16) . . . . ?
C11 C10 C15 C14 0.0(2) . . . . ?
C13 C14 C15 C10 -0.2(3) . . . . ?
N4 C7 C16 C17 5.22(17) . . . . ?
C6 C7 C16 C17 -109.65(16) . . . . ?
C7 C16 C17 C18 20.32(18) . . . . ?
C8 N4 C18 C17 163.22(14) . . . . ?
C7 N4 C18 C17 42.69(16) . . . . ?
C16 C17 C18 N4 -38.17(17) . . . . ?
C1 C6 C19 C24 76.18(19) . . . . ?
C7 C6 C19 C24 -46.8(2) . . . . ?
C1 C6 C19 C20 -104.47(18) . . . . ?
C7 C6 C19 C20 132.52(16) . . . . ?
C24 C19 C20 C21 0.2(2) . . . . ?
C6 C19 C20 C21 -179.17(15) . . . . ?
C24 C19 C20 Cl1 -179.45(12) . . . . ?
C6 C19 C20 Cl1 1.2(2) . . . . ?
C19 C20 C21 C22 -0.4(3) . . . . ?
Cl1 C20 C21 C22 179.24(13) . . . . ?
C20 C21 C22 C23 0.6(3) . . . . ?
C21 C22 C23 C24 -0.5(3) . . . . ?
C22 C23 C24 C19 0.3(3) . . . . ?
C20 C19 C24 C23 -0.1(2) . . . . ?
C6 C19 C24 C23 179.24(16) . . . . ?
