#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006320.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_2006320
loop_
_publ_author_name
'Govindasamy, L.'
'Velmurugan, D.'
'Ravikumar, K.'
'Mohanakrishnan, A. K.'
_publ_section_title
;
 Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              929
_journal_page_last               931
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C23 H21 N O6 S'
_chemical_formula_weight         439.47
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                75.540(10)
_cell_angle_beta                 83.540(10)
_cell_angle_gamma                89.780(10)
_cell_formula_units_Z            2
_cell_length_a                   7.9290(10)
_cell_length_b                   11.001(2)
_cell_length_c                   12.436(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      8
_cell_volume                     1043.4(3)
_computing_cell_refinement       'R3m/V diffractometer software'
_computing_data_collection       'R3m/V diffractometer software'
_computing_data_reduction        'SHELXTL-Plus (Sheldrick, 1991)'
_computing_molecular_graphics    'ORTEP92 (Vickovi\'c, 1994)'
_computing_publication_material  'SHELXL93, PARST (Nardelli, 1983)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/V diffractometer'
_diffrn_measurement_method       \w/2\q
_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  0.0380
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            2988
_diffrn_reflns_theta_max         22.54
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 60
_diffrn_standards_interval_time  7200
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.196
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Transparent
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.236
_refine_ls_extinction_coef       0.004(2)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   0.626
_refine_ls_goodness_of_fit_obs   0.598
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     365
_refine_ls_number_reflns         2746
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.636
_refine_ls_restrained_S_obs      0.598
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_obs          0.0383
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w = 1/[\s^2^(Fo^2^)+(0.1341P)^2^+1.4912P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.1280
_refine_ls_wR_factor_obs         0.1110
_reflns_number_observed          2383
_reflns_number_total             2748
_reflns_observed_criterion       >2sigma(I)
_[local]_cod_data_source_file    kh1141.cif
_[local]_cod_data_source_block   ch26
_[local]_cod_cif_authors_sg_H-M  P-1
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2006320
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
S 0.0469(4) 0.0424(4) 0.0483(4) 0.0089(3) -0.0001(3) -0.0140(3)
N 0.0508(13) 0.0420(12) 0.0405(12) 0.0021(10) -0.0016(10) -0.0094(10)
O1 0.0536(11) 0.0669(13) 0.0599(12) 0.0064(9) 0.0108(9) -0.0279(10)
O2 0.0688(13) 0.0515(11) 0.0604(12) 0.0218(9) -0.0178(10) -0.0142(10)
O3 0.115(2) 0.0626(13) 0.0395(12) 0.0192(12) -0.0186(11) -0.0126(10)
O4 0.0740(13) 0.0484(11) 0.0406(11) 0.0052(9) -0.0071(9) -0.0161(9)
O5 0.0618(12) 0.0409(10) 0.0483(11) 0.0093(8) -0.0147(9) -0.0113(8)
O6 0.096(2) 0.0647(13) 0.0404(11) 0.0137(11) -0.0181(10) -0.0068(10)
C1 0.053(2) 0.0446(15) 0.0398(15) -0.0028(12) -0.0069(12) -0.0086(12)
C2 0.056(2) 0.051(2) 0.0341(14) -0.0022(13) -0.0065(12) -0.0017(12)
C3 0.065(2) 0.061(2) 0.0343(14) -0.0010(14) -0.0024(13) -0.0121(13)
C4 0.059(2) 0.056(2) 0.0368(15) -0.0037(13) 0.0024(12) -0.0123(13)
C5 0.0445(14) 0.0397(14) 0.0389(14) -0.0031(11) -0.0013(11) -0.0054(11)
C6 0.0424(14) 0.0407(14) 0.0387(14) -0.0021(11) -0.0035(11) -0.0093(11)
C7 0.053(2) 0.0392(14) 0.046(2) 0.0019(11) -0.0104(12) -0.0067(12)
C8 0.057(2) 0.0446(15) 0.0363(14) -0.0014(12) -0.0108(12) -0.0050(12)
C9 0.0496(15) 0.0399(14) 0.0366(14) -0.0026(11) -0.0071(11) -0.0078(11)
C10 0.0435(14) 0.0361(14) 0.0394(14) -0.0001(11) -0.0092(11) -0.0069(11)
C11 0.0442(14) 0.0367(14) 0.0363(14) -0.0024(11) -0.0044(11) -0.0051(11)
C12 0.0432(14) 0.0411(14) 0.0351(14) -0.0041(11) -0.0026(11) -0.0079(11)
C13 0.081(2) 0.055(2) 0.054(2) 0.007(2) -0.013(2) -0.0006(14)
C14 0.090(2) 0.040(2) 0.057(2) -0.0002(15) -0.006(2) -0.0045(13)
C15 0.056(2) 0.047(2) 0.038(2) -0.0016(12) -0.0083(12) -0.0101(13)
C16 0.062(2) 0.058(2) 0.047(2) 0.0032(14) -0.0041(13) -0.0234(13)
C17 0.077(2) 0.064(2) 0.076(2) 0.010(2) -0.011(2) -0.030(2)
C18 0.052(2) 0.0316(13) 0.047(2) 0.0058(11) 0.0012(12) -0.0077(11)
C19 0.066(2) 0.055(2) 0.059(2) -0.0024(14) 0.0105(15) -0.0186(14)
C20 0.062(2) 0.070(2) 0.080(2) -0.010(2) 0.023(2) -0.019(2)
C21 0.056(2) 0.056(2) 0.093(3) -0.0014(14) -0.005(2) -0.008(2)
C22 0.067(2) 0.061(2) 0.069(2) 0.002(2) -0.020(2) -0.012(2)
C23 0.061(2) 0.050(2) 0.051(2) 0.0050(13) -0.0024(13) -0.0112(13)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_type_symbol
H1A 0.303(4) 0.427(3) 0.886(3) 0.071(9) Uiso d 1 H
H3A 0.189(4) 0.605(3) 1.143(3) 0.067(9) Uiso d 1 H
H4A 0.086(4) 0.783(3) 0.023(3) 0.073(8) Uiso d 1 H
H7A 0.027(4) 0.898(3) 0.557(3) 0.059(9) Uiso d 1 H
H13A 0.455(4) 0.317(3) 1.022(3) 0.080(9) Uiso d 1 H
H13B 0.270(4) 0.254(3) 1.039(3) 0.072(9) Uiso d 1 H
H13C 0.389(4) 0.237(3) 1.144(3) 0.092(9) Uiso d 1 H
H14A 0.120(4) 0.337(3) 0.782(3) 0.091(9) Uiso d 1 H
H14B 0.123(4) 0.335(3) 0.646(3) 0.095(9) Uiso d 1 H
H14C 0.264(4) 0.273(3) 0.720(3) 0.100(9) Uiso d 1 H
H16A 0.207(4) 0.387(3) 0.333(3) 0.059(9) Uiso d 1 H
H16B 0.408(4) 0.441(3) 0.314(3) 0.082(9) Uiso d 1 H
H17A 0.472(4) 0.247(3) 0.458(3) 0.094(9) Uiso d 1 H
H17B 0.287(4) 0.207(3) 0.475(3) 0.093(9) Uiso d 1 H
H17C 0.387(4) 0.209(3) 0.355(3) 0.086(9) Uiso d 1 H
H19A 0.351(4) 0.982(3) 0.624(3) 0.080(9) Uiso d 1 H
H20A 0.623(4) 1.052(3) 0.619(3) 0.086(9) Uiso d 1 H
H21A 0.718(4) 1.132(3) 0.763(3) 0.094(9) Uiso d 1 H
H22A 0.518(4) 1.122(3) 0.939(3) 0.084(9) Uiso d 1 H
H23A 0.222(4) 1.039(3) 0.945(3) 0.082(9) Uiso d 1 H
H4C 0.102(4) 0.774(3) 0.425(3) 0.064(9) Uiso d 1 H
S 0.05982(8) 0.95034(6) 0.78752(5) 0.0459(3) Uani d 1 S
N 0.0778(3) 0.7997(2) 0.7885(2) 0.0449(5) Uani d 1 N
O1 -0.0354(2) 0.9552(2) 0.8905(2) 0.0593(5) Uani d 1 O
O2 -0.0008(3) 1.0110(2) 0.6845(2) 0.0594(5) Uani d 1 O
O3 0.2215(3) 0.6170(2) 0.3401(2) 0.0718(6) Uani d 1 O
O4 0.2872(2) 0.4435(2) 0.46170(14) 0.0534(5) Uani d 1 O
O5 0.3030(2) 0.4537(2) 0.67641(15) 0.0497(5) Uani d 1 O
O6 0.2981(3) 0.4050(2) 1.1093(2) 0.0673(6) Uani d 1 O
C1 0.2565(3) 0.5016(2) 0.9159(2) 0.0460(6) Uani d 1 C
C2 0.2498(3) 0.5028(3) 1.0273(2) 0.0486(7) Uani d 1 C
C3 0.1905(4) 0.6069(3) 1.0645(2) 0.0540(7) Uani d 1 C
C4 0.1318(4) 0.7116(3) 0.9921(2) 0.0512(7) Uani d 1 C
C5 0.1357(3) 0.7084(2) 0.8803(2) 0.0421(6) Uani d 1 C
C6 0.1116(3) 0.7532(2) 0.6918(2) 0.0408(6) Uani d 1 C
C7 0.0811(3) 0.8064(2) 0.5820(2) 0.0467(6) Uani d 1 C
C8 0.1235(3) 0.7375(2) 0.5053(2) 0.0464(6) Uani d 1 C
C9 0.1958(3) 0.6183(2) 0.5318(2) 0.0422(6) Uani d 1 C
C10 0.2237(3) 0.5657(2) 0.6427(2) 0.0398(6) Uani d 1 C
C11 0.1828(3) 0.6340(2) 0.7227(2) 0.0398(6) Uani d 1 C
C12 0.1982(3) 0.6063(2) 0.8418(2) 0.0402(6) Uani d 1 C
C13 0.3567(4) 0.2953(3) 1.0781(3) 0.0656(8) Uani d 1 C
C14 0.1942(4) 0.3443(3) 0.7053(3) 0.0639(8) Uani d 1 C
C15 0.2363(3) 0.5607(2) 0.4350(2) 0.0468(7) Uani d 1 C
C16 0.3196(4) 0.3842(3) 0.3696(2) 0.0538(7) Uani d 1 C
C17 0.3736(4) 0.2541(3) 0.4175(3) 0.0698(9) Uani d 1 C
C18 0.2692(3) 1.0037(2) 0.7862(2) 0.0444(6) Uani d 1 C
C19 0.3854(4) 1.0087(3) 0.6920(3) 0.0606(8) Uani d 1 C
C20 0.5473(4) 1.0552(3) 0.6886(3) 0.0731(9) Uani d 1 C
C21 0.5930(4) 1.0981(3) 0.7758(3) 0.0703(9) Uani d 1 C
C22 0.4773(4) 1.0930(3) 0.8695(3) 0.0655(8) Uani d 1 C
C23 0.3146(4) 1.0440(3) 0.8761(2) 0.0548(7) Uani d 1 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'
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
_geom_angle_publ_flag
O2 S O1 119.83(13) yes
O2 S N 106.60(12) yes
O1 S N 106.87(13) yes
O2 S C18 108.90(14) yes
O1 S C18 108.96(14) yes
N S C18 104.61(12) yes
C6 N C5 107.4(2) yes
C6 N S 124.8(2) yes
C5 N S 122.6(2) yes
C15 O4 C16 115.8(2) yes
C10 O5 C14 115.3(2) yes
C2 O6 C13 118.0(2) yes
C2 C1 C12 118.0(3) ?
C2 C1 H1A 122.6(17) ?
C12 C1 H1A 119.4(17) ?
O6 C2 C1 124.1(3) yes
O6 C2 C3 114.8(3) yes
C1 C2 C3 121.2(3) ?
C2 C3 C4 121.6(3) ?
C2 C3 H3A 118.8(19) ?
C4 C3 H3A 119.6(19) ?
C5 C4 C3 116.8(3) ?
C4 C5 C12 122.2(3) ?
C4 C5 N 129.1(3) yes
C12 C5 N 108.7(2) yes
C7 C6 C11 121.4(3) ?
C7 C6 N 130.0(3) yes
C11 C6 N 108.6(2) yes
C8 C7 C6 117.1(3) ?
C8 C7 H7A 120.6(17) ?
C6 C7 H7A 122.3(17) ?
C7 C8 C9 123.7(3) ?
C7 C8 H4C 118.5(18) ?
C9 C8 H4C 117.8(18) ?
C10 C9 C8 118.4(3) ?
C10 C9 C15 126.5(3) ?
C8 C9 C15 115.0(2) ?
O5 C10 C11 117.4(2) yes
O5 C10 C9 123.2(2) yes
C11 C10 C9 119.2(2) ?
C10 C11 C6 120.2(2) ?
C10 C11 C12 132.2(3) ?
C6 C11 C12 107.7(2) ?
C5 C12 C1 120.3(3) ?
C5 C12 C11 107.5(2) ?
C1 C12 C11 132.2(3) ?
O6 C13 H13A 109.4(18) ?
O6 C13 H13B 114.2(17) ?
H13A C13 H13B 104.(3) ?
O6 C13 H13C 108.0(19) ?
H13A C13 H13C 109.(3) ?
H13B C13 H13C 112.(3) ?
O5 C14 H14A 111.4(17) ?
O5 C14 H14B 115.1(18) ?
H14A C14 H14B 111.(3) ?
O5 C14 H14C 107.8(19) ?
H14A C14 H14C 103.(3) ?
H14B C14 H14C 107.(3) ?
O3 C15 O4 122.8(3) yes
O3 C15 C9 122.2(3) yes
O4 C15 C9 115.0(2) yes
O4 C16 C17 107.1(3) yes
O4 C16 H16A 106.6(17) ?
C17 C16 H16A 113.2(17) ?
O4 C16 H16B 105.2(18) ?
C17 C16 H16B 115.6(18) ?
H16A C16 H16B 108.(2) ?
C16 C17 H17A 115.9(19) ?
C16 C17 H17B 111.3(18) ?
H17A C17 H17B 102.(3) ?
C16 C17 H17C 107.8(18) ?
H17A C17 H17C 113.(2) ?
H17B C17 H17C 107.(3) ?
C23 C18 C19 121.1(3) ?
C23 C18 S 119.9(2) yes
C19 C18 S 118.9(2) yes
C20 C19 C18 119.2(3) ?
C20 C19 H19A 119.3(17) ?
C18 C19 H19A 121.4(17) ?
C21 C20 C19 120.3(3) ?
C21 C20 H20A 126.0(18) ?
C19 C20 H20A 113.7(18) ?
C20 C21 C22 120.3(3) ?
C20 C21 H21A 113.4(17) ?
C22 C21 H21A 126.2(18) ?
C23 C22 C21 120.4(3) ?
C23 C22 H22A 120.3(17) ?
C21 C22 H22A 119.2(17) ?
C18 C23 C22 118.5(3) ?
C18 C23 H23A 118.0(17) ?
C22 C23 H23A 123.5(17) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
S O2 1.423(2) yes
S O1 1.425(2) yes
S N 1.660(2) yes
S C18 1.760(3) yes
N C6 1.418(4) yes
N C5 1.437(4) yes
O3 C15 1.207(3) yes
O4 C15 1.322(4) yes
O4 C16 1.452(4) yes
O5 C10 1.373(3) yes
O5 C14 1.429(4) yes
O6 C2 1.371(4) yes
O6 C13 1.418(4) yes
C1 C2 1.385(4) ?
C1 C12 1.396(4) ?
C2 C3 1.399(4) ?
C3 C4 1.388(4) ?
C4 C5 1.397(4) ?
C5 C12 1.395(4) ?
C6 C7 1.392(4) ?
C6 C11 1.406(4) ?
C7 C8 1.373(4) ?
C8 C9 1.406(4) ?
C9 C10 1.399(4) ?
C9 C15 1.499(4) ?
C10 C11 1.399(4) ?
C11 C12 1.455(4) ?
C16 C17 1.488(5) ?
C18 C23 1.383(4) ?
C18 C19 1.397(4) ?
C19 C20 1.376(5) ?
C20 C21 1.370(6) ?
C21 C22 1.390(5) ?
C22 C23 1.386(5) ?
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_publ_flag
O2 S N C6 28.8(3) yes
O1 S N C6 158.1(2) yes
C18 S N C6 -86.5(2) yes
O2 S N C5 -179.9(2) yes
O1 S N C5 -50.6(2) yes
C18 S N C5 64.8(2) yes
C13 O6 C2 C1 -0.7(5) yes
C13 O6 C2 C3 178.9(3) no
C12 C1 C2 O6 178.0(3) no
C12 C1 C2 C3 -1.6(4) ?
O6 C2 C3 C4 -177.9(3) no
C1 C2 C3 C4 1.8(5) no
C2 C3 C4 C5 -0.4(5) ?
C3 C4 C5 C12 -1.1(4) ?
C3 C4 C5 N 177.3(3) no
C6 N C5 C4 179.4(3) no
S N C5 C4 23.8(4) yes
C6 N C5 C12 -2.0(3) no
S N C5 C12 -157.6(2) yes
C5 N C6 C7 -179.4(3) no
S N C6 C7 -24.5(4) yes
C5 N C6 C11 2.2(3) no
S N C6 C11 157.1(2) no
C11 C6 C7 C8 0.0(4) ?
N C6 C7 C8 -178.2(3) no
C6 C7 C8 C9 -0.4(4) ?
C7 C8 C9 C10 1.1(4) ?
C7 C8 C9 C15 -178.6(3) ?
C14 O5 C10 C11 97.7(3) no
C14 O5 C10 C9 -87.9(3) yes
C8 C9 C10 O5 -175.8(2) no
C15 C9 C10 O5 3.8(4) no
C8 C9 C10 C11 -1.5(4) ?
C15 C9 C10 C11 178.2(3) ?
O5 C10 C11 C6 175.8(2) no
C9 C10 C11 C6 1.2(4) ?
O5 C10 C11 C12 -4.6(4) no
C9 C10 C11 C12 -179.3(3) ?
C7 C6 C11 C10 -0.4(4) ?
N C6 C11 C10 178.2(2) no
C7 C6 C11 C12 179.9(2) ?
N C6 C11 C12 -1.5(3) no
C4 C5 C12 C1 1.2(4) ?
N C5 C12 C1 -177.4(2) no
C4 C5 C12 C11 179.8(3) ?
N C5 C12 C11 1.1(3) no
C2 C1 C12 C5 0.2(4) ?
C2 C1 C12 C11 -178.0(3) ?
C10 C11 C12 C5 -179.4(3) ?
C6 C11 C12 C5 0.2(3) ?
C10 C11 C12 C1 -1.1(5) ?
C6 C11 C12 C1 178.5(3) ?
C16 O4 C15 O3 -1.9(4) no
C16 O4 C15 C9 177.3(2) no
C10 C9 C15 O3 -173.5(3) no
C8 C9 C15 O3 6.1(4) no
C10 C9 C15 O4 7.2(4) no
C8 C9 C15 O4 -173.1(2) no
C15 O4 C16 C17 -179.6(3) no
O2 S C18 C23 130.9(2) yes
O1 S C18 C23 -1.4(3) yes
N S C18 C23 -115.4(2) yes
O2 S C18 C19 -46.8(3) yes
O1 S C18 C19 -179.1(2) yes
N S C18 C19 66.9(3) yes
C23 C18 C19 C20 -0.4(5) ?
S C18 C19 C20 177.3(3) yes
C18 C19 C20 C21 -1.1(5) ?
C19 C20 C21 C22 1.2(6) ?
C20 C21 C22 C23 0.2(5) ?
C19 C18 C23 C22 1.7(4) ?
S C18 C23 C22 -175.9(2) yes
C21 C22 C23 C18 -1.6(5) ?