#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/57/2225797.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_2225797
loop_
_publ_author_name
'Kavitha, T.'
'Thenmozhi, M.'
'Dhayalan, V.'
'Mohanakrishnan, A. K.'
'Ponnuswamy, M. N.'
_publ_section_title
;
 8,9-Dimethoxy-5-phenylsulfonyl-5H-benzo[b]carbazole
;
_journal_coeditor_code           CI5059
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1071
_journal_paper_doi               10.1107/S160053681001247X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C24 H19 N O4 S'
_chemical_formula_moiety         'C24 H19 N O4 S'
_chemical_formula_sum            'C24 H19 N O4 S'
_chemical_formula_weight         417.46
_chemical_name_systematic
;
8,9-Dimethoxy-5-phenylsulfonyl-5H-benzo[b]carbazole
;
_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
_cell_angle_alpha                100.3870(10)
_cell_angle_beta                 93.168(2)
_cell_angle_gamma                105.8830(10)
_cell_formula_units_Z            2
_cell_length_a                   7.8606(2)
_cell_length_b                   9.5892(2)
_cell_length_c                   13.8846(4)
_cell_measurement_reflns_used    7025
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.3
_cell_measurement_theta_min      1.5
_cell_volume                     984.05(4)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Bruker Kappa APEXII area-detector'
_diffrn_measurement_method       'ω and φ scans'
_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  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26246
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         33.34
_diffrn_reflns_theta_min         1.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.197
_exptl_absorpt_correction_T_max  0.9617
_exptl_absorpt_correction_T_min  0.9433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.252
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         7025
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0443
_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)+(0.0749P)²+0.1333P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1380
_reflns_number_gt                5372
_reflns_number_total             7025
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci5059.cif
_cod_data_source_block           I
_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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2225797
_cod_database_fobs_code          2225797
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
S S1 0.62768(4) 0.24308(3) 0.35159(2) 0.03860(9) Uani d . 1 . .
O O1 0.54424(14) 0.18104(12) 0.42890(8) 0.0543(3) Uani d . 1 . .
O O2 0.57390(13) 0.35798(11) 0.31820(7) 0.0483(2) Uani d . 1 . .
O O3 0.84578(17) 0.47850(12) -0.16011(8) 0.0580(3) Uani d . 1 . .
O O4 0.89925(15) 0.24214(13) -0.25315(7) 0.0566(3) Uani d . 1 . .
C C1 0.6666(2) -0.24922(15) 0.16579(12) 0.0538(3) Uani d . 1 . .
H H1 0.7018 -0.2941 0.1083 0.065 Uiso calc R 1 . .
C C2 0.6256(2) -0.32426(16) 0.24138(14) 0.0600(4) Uani d . 1 . .
H H2 0.6350 -0.4200 0.2351 0.072 Uiso calc R 1 . .
C C3 0.5710(2) -0.25904(16) 0.32592(13) 0.0543(4) Uani d . 1 . .
H H3 0.5440 -0.3121 0.3757 0.065 Uiso calc R 1 . .
C C4 0.55495(18) -0.11624(15) 0.33915(11) 0.0484(3) Uani d . 1 . .
H H4 0.5166 -0.0732 0.3962 0.058 Uiso calc R 1 . .
N N5 0.59104(14) 0.10465(11) 0.25487(8) 0.0387(2) Uani d . 1 . .
C C6 0.67353(17) 0.25195(13) 0.12110(9) 0.0386(2) Uani d . 1 . .
H H6 0.6486 0.3362 0.1542 0.046 Uiso calc R 1 . .
C C7 0.76027(18) 0.37119(14) -0.01873(9) 0.0421(3) Uani d . 1 . .
H H7 0.7390 0.4572 0.0142 0.051 Uiso calc R 1 . .
C C8 0.81631(18) 0.36643(15) -0.11016(9) 0.0430(3) Uani d . 1 . .
C C9 0.84830(17) 0.23465(15) -0.16184(9) 0.0432(3) Uani d . 1 . .
C C10 0.82608(18) 0.11485(15) -0.11883(9) 0.0442(3) Uani d . 1 . .
H H10 0.8490 0.0300 -0.1525 0.053 Uiso calc R 1 . .
C C11 0.74574(18) -0.00587(13) 0.02134(10) 0.0424(3) Uani d . 1 . .
H H11 0.7687 -0.0913 -0.0112 0.051 Uiso calc R 1 . .
C C12 0.85883(16) 0.30130(14) 0.38223(8) 0.0386(2) Uani d . 1 . .
C C13 0.9589(2) 0.42875(18) 0.35613(11) 0.0530(3) Uani d . 1 . .
H H13 0.9045 0.4838 0.3228 0.064 Uiso calc R 1 . .
C C14 1.1410(2) 0.4730(2) 0.38032(12) 0.0677(5) Uani d . 1 . .
H H14 1.2102 0.5592 0.3641 0.081 Uiso calc R 1 . .
C C15 1.2202(2) 0.3895(2) 0.42836(13) 0.0687(5) Uani d . 1 . .
H H15 1.3429 0.4197 0.4445 0.082 Uiso calc R 1 . .
C C16 1.1192(3) 0.2617(2) 0.45275(15) 0.0726(5) Uani d . 1 . .
H H16 1.1743 0.2055 0.4845 0.087 Uiso calc R 1 . .
C C17 0.9365(2) 0.21628(18) 0.43036(12) 0.0575(4) Uani d . 1 . .
H H17 0.8674 0.1306 0.4473 0.069 Uiso calc R 1 . .
C C18 0.68934(16) 0.00057(12) 0.11331(9) 0.0379(2) Uani d . 1 . .
C C19 0.65257(15) 0.12981(12) 0.16256(8) 0.0348(2) Uani d . 1 . .
C C20 0.65429(16) -0.10571(13) 0.17721(10) 0.0406(2) Uani d . 1 . .
C C21 0.59885(15) -0.04054(13) 0.26328(10) 0.0396(2) Uani d . 1 . .
C C22 0.76869(16) 0.11715(13) -0.02368(9) 0.0382(2) Uani d . 1 . .
C C23 0.73374(16) 0.24697(12) 0.02715(8) 0.0368(2) Uani d . 1 . .
C C24 0.8057(3) 0.60947(18) -0.11663(13) 0.0630(4) Uani d . 1 . .
H H24A 0.6826 0.5860 -0.1055 0.094 Uiso calc R 1 . .
H H24B 0.8287 0.6784 -0.1600 0.094 Uiso calc R 1 . .
H H24C 0.8788 0.6528 -0.0550 0.094 Uiso calc R 1 . .
C C25 0.9127(2) 0.1091(2) -0.31191(12) 0.0639(4) Uani d . 1 . .
H H25A 1.0028 0.0769 -0.2805 0.096 Uiso calc R 1 . .
H H25B 0.9438 0.1264 -0.3755 0.096 Uiso calc R 1 . .
H H25C 0.8005 0.0341 -0.3195 0.096 Uiso calc R 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'
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'
S S 0.1246 0.1234 '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
O2 S1 O1 . . 119.60(6) ?
O2 S1 N5 . . 106.42(6) ?
O1 S1 N5 . . 106.38(6) ?
O2 S1 C12 1 . 109.08(6) ?
O2 S1 C12 . . 109.08(6) ?
O1 S1 C12 . . 109.33(6) ?
O1 S1 C12 1 . 109.33(6) ?
N5 S1 C12 . . 105.02(5) ?
C8 O3 C24 . . 117.66(12) ?
C9 O4 C25 . . 116.75(12) ?
C2 C1 C20 . . 118.78(15) ?
C2 C1 H1 . . 120.6 ?
C20 C1 H1 . . 120.6 ?
C3 C2 C1 . . 120.75(14) ?
C3 C2 H2 . . 119.6 ?
C1 C2 H2 . . 119.6 ?
C2 C3 C4 . . 121.93(14) ?
C2 C3 H3 . . 119.0 ?
C4 C3 H3 . . 119.0 ?
C3 C4 C21 . . 117.01(15) ?
C3 C4 H4 . . 121.5 ?
C21 C4 H4 . . 121.5 ?
C19 N5 C21 . . 107.00(9) ?
C19 N5 S1 . . 120.99(8) ?
C21 N5 S1 . . 122.60(8) ?
C19 C6 C23 . . 118.47(11) ?
C19 C6 H6 . . 120.8 ?
C23 C6 H6 . . 120.8 ?
C8 C7 C23 . . 121.15(12) ?
C8 C7 H7 . . 119.4 ?
C23 C7 H7 . . 119.4 ?
O3 C8 C7 . . 125.72(13) ?
O3 C8 C9 . . 114.26(11) ?
C7 C8 C9 . . 120.02(12) ?
O4 C9 C10 . . 125.54(12) ?
O4 C9 C8 . . 114.56(12) ?
C10 C9 C8 . . 119.89(12) ?
C9 C10 C22 . . 121.20(12) ?
C9 C10 H10 . . 119.4 ?
C22 C10 H10 . . 119.4 ?
C18 C11 C22 . . 119.80(11) ?
C18 C11 H11 . . 120.1 ?
C22 C11 H11 . . 120.1 ?
C17 C12 C13 . . 121.76(13) ?
C17 C12 S1 . . 118.76(11) ?
C13 C12 S1 . . 119.47(11) ?
C14 C13 C12 . . 118.85(16) ?
C14 C13 H13 . . 120.6 ?
C12 C13 H13 . . 120.6 ?
C15 C14 C13 . . 120.03(17) ?
C15 C14 H14 . . 120.0 ?
C13 C14 H14 . . 120.0 ?
C14 C15 C16 . . 120.53(15) ?
C14 C15 H15 . . 119.7 ?
C16 C15 H15 . . 119.7 ?
C15 C16 C17 . . 120.44(17) ?
C15 C16 H16 . . 119.8 ?
C17 C16 H16 . . 119.8 ?
C12 C17 C16 . . 118.38(16) ?
C12 C17 H17 . . 120.8 ?
C16 C17 H17 . . 120.8 ?
C11 C18 C19 . . 120.27(11) ?
C11 C18 C20 . . 132.36(11) ?
C19 C18 C20 . . 107.37(11) ?
C6 C19 C18 . . 121.62(11) ?
C6 C19 N5 . . 129.82(10) ?
C18 C19 N5 . . 108.55(9) ?
C1 C20 C21 . . 120.01(12) ?
C1 C20 C18 . . 131.88(13) ?
C21 C20 C18 . . 108.10(11) ?
C4 C21 C20 . . 121.51(12) ?
C4 C21 N5 . . 129.56(13) ?
C20 C21 N5 . . 108.88(10) ?
C11 C22 C10 . . 121.58(11) ?
C11 C22 C23 . . 119.36(11) ?
C10 C22 C23 . . 119.06(11) ?
C6 C23 C22 . . 120.47(11) ?
C6 C23 C7 . . 120.86(11) ?
C22 C23 C7 . . 118.67(11) ?
O3 C24 H24A . . 109.5 ?
O3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
O3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
O4 C25 H25A . . 109.5 ?
O4 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
O4 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
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
S1 O2 1 1.4231(10) ?
S1 O2 . 1.4231(10) ?
S1 O1 . 1.4251(9) ?
S1 O1 1 1.4251(9) ?
S1 N5 . 1.6594(11) ?
S1 C12 . 1.7515(13) ?
O3 C8 . 1.3564(15) ?
O3 C24 . 1.416(2) ?
O4 C9 . 1.3587(15) ?
O4 C25 . 1.4183(19) ?
C1 C2 . 1.381(2) ?
C1 C20 . 1.3872(18) ?
C1 H1 . 0.93 ?
C2 C3 . 1.375(3) ?
C2 H2 . 0.93 ?
C3 C4 . 1.390(2) ?
C3 H3 . 0.93 ?
C4 C21 . 1.3909(17) ?
C4 H4 . 0.93 ?
N5 C19 . 1.4321(14) ?
N5 C21 . 1.4355(15) ?
C6 C19 . 1.3705(15) ?
C6 C23 . 1.4093(16) ?
C6 H6 . 0.93 ?
C7 C8 . 1.3637(17) ?
C7 C23 . 1.4215(16) ?
C7 H7 . 0.93 ?
C8 C9 . 1.4289(19) ?
C9 C10 . 1.3623(19) ?
C10 C22 . 1.4177(17) ?
C10 H10 . 0.93 ?
C11 C18 . 1.3712(17) ?
C11 C22 . 1.4060(17) ?
C11 H11 . 0.93 ?
C12 C17 . 1.3811(19) ?
C12 C13 . 1.3816(19) ?
C13 C14 . 1.380(2) ?
C13 H13 . 0.93 ?
C14 C15 . 1.376(3) ?
C14 H14 . 0.93 ?
C15 C16 . 1.376(3) ?
C15 H15 . 0.93 ?
C16 C17 . 1.381(2) ?
C16 H16 . 0.93 ?
C17 H17 . 0.93 ?
C18 C19 . 1.4139(16) ?
C18 C20 . 1.4494(16) ?
C20 C21 . 1.3950(19) ?
C22 C23 . 1.4196(17) ?
C24 H24A . 0.96 ?
C24 H24B . 0.96 ?
C24 H24C . 0.96 ?
C25 H25A . 0.96 ?
C25 H25B . 0.96 ?
C25 H25C . 0.96 ?
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
C4 H4 O1 1 0.93 2.34 2.9238(19) 120
C6 H6 O2 1 0.93 2.37 2.9674(15) 122
C2 H2 O2 1_545 0.93 2.55 3.3361(17) 143
C24 H24C Cg1 2_765 0.96 2.84 3.727(2) 154
C25 H25A Cg2 2_755 0.96 2.90 3.628(2) 134
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
O2 S1 O1 O1 1 . . 1 0.00(16) ?
O2 S1 O1 O1 . . . 1 0.00(16) ?
N5 S1 O1 O1 . . . 1 0.00(14) ?
C12 S1 O1 O1 . . . 1 0.00(17) ?
O1 S1 O2 O2 . . . 1 0.00(14) ?
O1 S1 O2 O2 1 . . 1 0.00(14) ?
N5 S1 O2 O2 . . . 1 0.00(15) ?
C12 S1 O2 O2 . . . 1 0.00(16) ?
C20 C1 C2 C3 . . . . 0.9(2) ?
C1 C2 C3 C4 . . . . -0.1(2) ?
C2 C3 C4 C21 . . . . -0.8(2) ?
O2 S1 N5 C19 1 . . . 49.36(10) ?
O2 S1 N5 C19 . . . . 49.36(10) ?
O1 S1 N5 C19 . . . . 177.92(9) ?
O1 S1 N5 C19 1 . . . 177.92(9) ?
C12 S1 N5 C19 . . . . -66.23(10) ?
O2 S1 N5 C21 1 . . . -168.55(9) ?
O2 S1 N5 C21 . . . . -168.55(9) ?
O1 S1 N5 C21 . . . . -39.99(11) ?
O1 S1 N5 C21 1 . . . -39.99(11) ?
C12 S1 N5 C21 . . . . 75.86(10) ?
C24 O3 C8 C7 . . . . -3.8(2) ?
C24 O3 C8 C9 . . . . 175.91(13) ?
C23 C7 C8 O3 . . . . -179.89(12) ?
C23 C7 C8 C9 . . . . 0.4(2) ?
C25 O4 C9 C10 . . . . 6.8(2) ?
C25 O4 C9 C8 . . . . -172.91(13) ?
O3 C8 C9 O4 . . . . -1.32(17) ?
C7 C8 C9 O4 . . . . 178.41(12) ?
O3 C8 C9 C10 . . . . 179.00(12) ?
C7 C8 C9 C10 . . . . -1.3(2) ?
O4 C9 C10 C22 . . . . -178.64(12) ?
C8 C9 C10 C22 . . . . 1.0(2) ?
O2 S1 C12 C17 1 . . . 170.30(11) ?
O2 S1 C12 C17 . . . . 170.30(11) ?
O1 S1 C12 C17 . . . . 37.83(12) ?
O1 S1 C12 C17 1 . . . 37.83(12) ?
N5 S1 C12 C17 . . . . -75.97(12) ?
O2 S1 C12 C13 1 . . . -10.97(13) ?
O2 S1 C12 C13 . . . . -10.97(13) ?
O1 S1 C12 C13 . . . . -143.44(11) ?
O1 S1 C12 C13 1 . . . -143.44(11) ?
N5 S1 C12 C13 . . . . 102.76(11) ?
C17 C12 C13 C14 . . . . -1.0(2) ?
S1 C12 C13 C14 . . . . -179.69(12) ?
C12 C13 C14 C15 . . . . 0.9(2) ?
C13 C14 C15 C16 . . . . 0.0(3) ?
C14 C15 C16 C17 . . . . -0.8(3) ?
C13 C12 C17 C16 . . . . 0.2(2) ?
S1 C12 C17 C16 . . . . 178.91(12) ?
C15 C16 C17 C12 . . . . 0.7(3) ?
C22 C11 C18 C19 . . . . 0.61(19) ?
C22 C11 C18 C20 . . . . -179.99(12) ?
C23 C6 C19 C18 . . . . -0.16(18) ?
C23 C6 C19 N5 . . . . -178.68(11) ?
C11 C18 C19 C6 . . . . -0.69(18) ?
C20 C18 C19 C6 . . . . 179.78(11) ?
C11 C18 C19 N5 . . . . 178.11(11) ?
C20 C18 C19 N5 . . . . -1.42(13) ?
C21 N5 C19 C6 . . . . -178.66(12) ?
S1 N5 C19 C6 . . . . -31.42(17) ?
C21 N5 C19 C18 . . . . 2.67(12) ?
S1 N5 C19 C18 . . . . 149.90(9) ?
C2 C1 C20 C21 . . . . -0.9(2) ?
C2 C1 C20 C18 . . . . 179.24(14) ?
C11 C18 C20 C1 . . . . 0.0(2) ?
C19 C18 C20 C1 . . . . 179.45(14) ?
C11 C18 C20 C21 . . . . -179.87(13) ?
C19 C18 C20 C21 . . . . -0.41(13) ?
C3 C4 C21 C20 . . . . 0.81(19) ?
C3 C4 C21 N5 . . . . 178.13(12) ?
C1 C20 C21 C4 . . . . 0.02(19) ?
C18 C20 C21 C4 . . . . 179.91(11) ?
C1 C20 C21 N5 . . . . -177.80(12) ?
C18 C20 C21 N5 . . . . 2.09(13) ?
C19 N5 C21 C4 . . . . 179.47(12) ?
S1 N5 C21 C4 . . . . 32.88(17) ?
C19 N5 C21 C20 . . . . -2.94(13) ?
S1 N5 C21 C20 . . . . -149.53(9) ?
C18 C11 C22 C10 . . . . -179.74(11) ?
C18 C11 C22 C23 . . . . 0.28(19) ?
C9 C10 C22 C11 . . . . -179.87(12) ?
C9 C10 C22 C23 . . . . 0.11(19) ?
C19 C6 C23 C22 . . . . 1.07(18) ?
C19 C6 C23 C7 . . . . -179.10(12) ?
C11 C22 C23 C6 . . . . -1.14(18) ?
C10 C22 C23 C6 . . . . 178.88(11) ?
C11 C22 C23 C7 . . . . 179.02(12) ?
C10 C22 C23 C7 . . . . -0.95(18) ?
C8 C7 C23 C6 . . . . -179.15(12) ?
C8 C7 C23 C22 . . . . 0.7(2) ?
