#------------------------------------------------------------------------------
#$Date: 2016-05-31 11:37:59 +0300 (Tue, 31 May 2016) $
#$Revision: 183173 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/89/7118977.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_7118977
loop_
_publ_author_name
'Peng-Long Zhu'
'Xiang-Ying Tang'
'Min Shi'
_publ_section_title
;
 Intramolecular cyclizations of cyclopropenes with indole
;
_journal_name_full               Chem.Commun.
_journal_page_first              7245
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C26 H25 N3 O5 S'
_chemical_formula_weight         491.55
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-12-02 deposited with the CCDC.
2016-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                99.750(4)
_cell_angle_beta                 95.533(4)
_cell_angle_gamma                107.818(4)
_cell_formula_units_Z            2
_cell_length_a                   9.3636(17)
_cell_length_b                   10.8898(19)
_cell_length_c                   12.521(2)
_cell_measurement_reflns_used    1776
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      47.807
_cell_measurement_theta_min      5.034
_cell_volume                     1182.9(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6864
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.009
_exptl_absorpt_coefficient_mu    0.181
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.402
_refine_diff_density_min         -0.199
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4409
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0514
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0706P)²+0.2244P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1405
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3424
_reflns_number_total             4409
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc02226j2.cif
_cod_data_source_block           cd15292
_cod_database_code               7118977
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.961
_shelx_estimated_absorpt_t_max   0.979
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S1 S 0.71049(7) 0.38171(5) 1.18823(5) 0.03944(19) Uani 1 1 d . . . . .
N1 N 0.6019(2) 0.1201(2) 0.68776(17) 0.0478(5) Uani 1 1 d . . . . .
N2 N 0.7762(2) 0.43951(19) 1.08688(15) 0.0362(4) Uani 1 1 d . . . . .
N3 N 0.7128(3) 0.8460(3) 1.5181(2) 0.0730(8) Uani 1 1 d . . . . .
O1 O 0.95200(17) 0.34882(15) 0.91262(12) 0.0411(4) Uani 1 1 d . . . . .
O2 O 0.5556(2) 0.30426(16) 1.15155(15) 0.0579(5) Uani 1 1 d . . . . .
O3 O 0.8152(2) 0.32523(18) 1.23133(15) 0.0576(5) Uani 1 1 d . . . . .
O4 O 0.8023(4) 0.9517(3) 1.5142(2) 0.1095(10) Uani 1 1 d . . . . .
O5 O 0.6216(3) 0.8311(3) 1.5808(2) 0.1051(9) Uani 1 1 d . . . . .
C1 C 0.6831(3) 0.2314(2) 0.65340(18) 0.0405(5) Uani 1 1 d . . . . .
C2 C 0.7133(3) 0.2237(3) 0.5464(2) 0.0558(7) Uani 1 1 d . . . . .
H2 H 0.6826 0.1419 0.4985 0.067 Uiso 1 1 calc R U . . .
C3 C 0.7876(3) 0.3344(4) 0.5103(2) 0.0640(8) Uani 1 1 d . . . . .
H3 H 0.8073 0.3272 0.4385 0.077 Uiso 1 1 calc R U . . .
C4 C 0.8329(3) 0.4555(3) 0.5794(2) 0.0597(8) Uani 1 1 d . . . . .
H4 H 0.8816 0.5308 0.5543 0.072 Uiso 1 1 calc R U . . .
C5 C 0.8060(3) 0.4656(3) 0.6861(2) 0.0462(6) Uani 1 1 d . . . . .
H5 H 0.8388 0.5482 0.7331 0.055 Uiso 1 1 calc R U . . .
C6 C 0.7314(2) 0.3556(2) 0.72523(17) 0.0371(5) Uani 1 1 d . . . . .
C7 C 0.7045(2) 0.3595(2) 0.84358(17) 0.0334(5) Uani 1 1 d . . . . .
C8 C 0.5502(2) 0.2556(2) 0.84125(19) 0.0375(5) Uani 1 1 d . . . . .
H8A H 0.5208 0.2602 0.9137 0.045 Uiso 1 1 calc R U . . .
H8B H 0.4714 0.2657 0.7906 0.045 Uiso 1 1 calc R U . . .
C9 C 0.5809(3) 0.1267(2) 0.80175(19) 0.0414(5) Uani 1 1 d . . . . .
C10 C 0.7319(2) 0.1505(2) 0.87914(19) 0.0383(5) Uani 1 1 d . . . . .
H10 H 0.7041 0.1444 0.9520 0.046 Uiso 1 1 calc R U . . .
C11 C 0.8167(2) 0.2940(2) 0.88562(16) 0.0325(5) Uani 1 1 d . . . . .
C12 C 0.4559(3) 0.0040(3) 0.8094(3) 0.0627(8) Uani 1 1 d . . . . .
H12A H 0.3632 -0.0002 0.7665 0.094 Uiso 1 1 calc R U . . .
H12B H 0.4421 0.0065 0.8846 0.094 Uiso 1 1 calc R U . . .
H12C H 0.4828 -0.0723 0.7818 0.094 Uiso 1 1 calc R U . . .
C13 C 0.8173(3) 0.0553(2) 0.8548(2) 0.0494(6) Uani 1 1 d . . . . .
C14 C 0.9146(3) 0.0672(3) 0.7780(3) 0.0637(8) Uani 1 1 d . . . . .
H14 H 0.9273 0.1353 0.7401 0.076 Uiso 1 1 calc R U . . .
C15 C 0.9926(4) -0.0198(4) 0.7569(4) 0.0910(12) Uani 1 1 d . . . . .
H15 H 1.0593 -0.0094 0.7061 0.109 Uiso 1 1 calc R U . . .
C16 C 0.9724(5) -0.1222(4) 0.8107(5) 0.1130(17) Uani 1 1 d . . . . .
H16 H 1.0235 -0.1824 0.7953 0.136 Uiso 1 1 calc R U . . .
C17 C 0.8778(5) -0.1352(4) 0.8861(5) 0.1166(17) Uani 1 1 d . . . . .
H17 H 0.8653 -0.2040 0.9232 0.140 Uiso 1 1 calc R U . . .
C18 C 0.7998(4) -0.0476(3) 0.9087(3) 0.0836(11) Uani 1 1 d . . . . .
H18 H 0.7348 -0.0580 0.9606 0.100 Uiso 1 1 calc R U . . .
C19 C 0.7319(3) 0.4980(2) 0.90901(18) 0.0386(5) Uani 1 1 d . . . . .
H19A H 0.8380 0.5491 0.9136 0.046 Uiso 1 1 calc R U . . .
H19B H 0.6720 0.5391 0.8691 0.046 Uiso 1 1 calc R U . . .
C20 C 0.6936(3) 0.5052(2) 1.02419(18) 0.0421(5) Uani 1 1 d . . . . .
H20A H 0.7200 0.5968 1.0610 0.051 Uiso 1 1 calc R U . . .
H20B H 0.5853 0.4634 1.0207 0.051 Uiso 1 1 calc R U . . .
C21 C 0.7124(3) 0.5176(2) 1.29001(17) 0.0371(5) Uani 1 1 d . . . . .
C22 C 0.8411(3) 0.6262(2) 1.3195(2) 0.0508(6) Uani 1 1 d . . . . .
H22 H 0.9273 0.6271 1.2881 0.061 Uiso 1 1 calc R U . . .
C23 C 0.8425(3) 0.7340(3) 1.3956(2) 0.0576(7) Uani 1 1 d . . . . .
H23 H 0.9283 0.8090 1.4154 0.069 Uiso 1 1 calc R U . . .
C24 C 0.7138(3) 0.7276(3) 1.44142(19) 0.0490(6) Uani 1 1 d . . . . .
C25 C 0.5868(3) 0.6195(3) 1.41626(19) 0.0495(6) Uani 1 1 d . . . . .
H25 H 0.5028 0.6175 1.4509 0.059 Uiso 1 1 calc R U . . .
C26 C 0.5849(3) 0.5128(3) 1.33836(18) 0.0431(6) Uani 1 1 d . . . . .
H26 H 0.4985 0.4383 1.3186 0.052 Uiso 1 1 calc R U . . .
H2A H 0.866(3) 0.477(2) 1.0973(19) 0.036(7) Uiso 1 1 d . . . . .
H1 H 0.612(3) 0.048(3) 0.657(2) 0.052(8) 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 0.0033 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_site_symmetry_1
_geom_angle_site_symmetry_3
O3 S1 O2 120.53(12) . .
O3 S1 N2 106.44(10) . .
O2 S1 N2 107.51(11) . .
O3 S1 C21 107.79(11) . .
O2 S1 C21 106.62(11) . .
N2 S1 C21 107.33(10) . .
C1 N1 C9 120.6(2) . .
C1 N1 H1 115.8(18) . .
C9 N1 H1 113.8(18) . .
C20 N2 S1 120.08(15) . .
C20 N2 H2A 111.9(17) . .
S1 N2 H2A 114.8(17) . .
O5 N3 O4 124.1(3) . .
O5 N3 C24 117.5(3) . .
O4 N3 C24 118.3(3) . .
N1 C1 C2 120.8(2) . .
N1 C1 C6 120.3(2) . .
C2 C1 C6 118.8(2) . .
C3 C2 C1 121.2(3) . .
C3 C2 H2 119.4 . .
C1 C2 H2 119.4 . .
C4 C3 C2 120.2(2) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 119.8(3) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
C4 C5 C6 121.4(3) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C5 C6 C1 118.6(2) . .
C5 C6 C7 123.9(2) . .
C1 C6 C7 117.5(2) . .
C19 C7 C6 113.58(18) . .
C19 C7 C8 117.22(17) . .
C6 C7 C8 107.30(18) . .
C19 C7 C11 113.54(18) . .
C6 C7 C11 101.12(16) . .
C8 C7 C11 102.32(16) . .
C9 C8 C7 102.25(17) . .
C9 C8 H8A 111.3 . .
C7 C8 H8A 111.3 . .
C9 C8 H8B 111.3 . .
C7 C8 H8B 111.3 . .
H8A C8 H8B 109.2 . .
N1 C9 C12 108.7(2) . .
N1 C9 C8 107.23(19) . .
C12 C9 C8 114.6(2) . .
N1 C9 C10 112.27(18) . .
C12 C9 C10 113.2(2) . .
C8 C9 C10 100.66(18) . .
C13 C10 C11 117.05(19) . .
C13 C10 C9 118.1(2) . .
C11 C10 C9 102.87(17) . .
C13 C10 H10 105.9 . .
C11 C10 H10 105.9 . .
C9 C10 H10 105.9 . .
O1 C11 C10 126.5(2) . .
O1 C11 C7 124.58(19) . .
C10 C11 C7 108.74(18) . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C18 C13 C14 118.0(3) . .
C18 C13 C10 120.5(3) . .
C14 C13 C10 121.5(2) . .
C15 C14 C13 121.0(3) . .
C15 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C14 C15 C16 120.0(4) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C17 C16 C15 119.8(3) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
C16 C17 C18 120.7(4) . .
C16 C17 H17 119.7 . .
C18 C17 H17 119.7 . .
C17 C18 C13 120.5(4) . .
C17 C18 H18 119.7 . .
C13 C18 H18 119.7 . .
C20 C19 C7 115.19(18) . .
C20 C19 H19A 108.5 . .
C7 C19 H19A 108.5 . .
C20 C19 H19B 108.5 . .
C7 C19 H19B 108.5 . .
H19A C19 H19B 107.5 . .
N2 C20 C19 110.82(17) . .
N2 C20 H20A 109.5 . .
C19 C20 H20A 109.5 . .
N2 C20 H20B 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 108.1 . .
C22 C21 C26 120.8(2) . .
C22 C21 S1 119.36(17) . .
C26 C21 S1 119.80(19) . .
C21 C22 C23 120.0(2) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 118.1(3) . .
C24 C23 H23 121.0 . .
C22 C23 H23 121.0 . .
C25 C24 C23 123.0(2) . .
C25 C24 N3 119.1(2) . .
C23 C24 N3 117.9(3) . .
C24 C25 C26 118.7(2) . .
C24 C25 H25 120.7 . .
C26 C25 H25 120.7 . .
C25 C26 C21 119.4(2) . .
C25 C26 H26 120.3 . .
C21 C26 H26 120.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 O3 1.4182(18) .
S1 O2 1.4205(19) .
S1 N2 1.6028(19) .
S1 C21 1.776(2) .
N1 C1 1.381(3) .
N1 C9 1.452(3) .
N1 H1 0.85(3) .
N2 C20 1.462(3) .
N2 H2A 0.80(2) .
N3 O5 1.207(3) .
N3 O4 1.211(4) .
N3 C24 1.475(3) .
O1 C11 1.209(3) .
C1 C2 1.390(3) .
C1 C6 1.406(3) .
C2 C3 1.369(4) .
C2 H2 0.9300 .
C3 C4 1.367(4) .
C3 H3 0.9300 .
C4 C5 1.376(3) .
C4 H4 0.9300 .
C5 C6 1.384(3) .
C5 H5 0.9300 .
C6 C7 1.523(3) .
C7 C19 1.521(3) .
C7 C8 1.533(3) .
C7 C11 1.540(3) .
C8 C9 1.529(3) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C12 1.507(3) .
C9 C10 1.559(3) .
C10 C13 1.501(3) .
C10 C11 1.505(3) .
C10 H10 0.9800 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C18 1.380(4) .
C13 C14 1.382(4) .
C14 C15 1.370(4) .
C14 H14 0.9300 .
C15 C16 1.372(6) .
C15 H15 0.9300 .
C16 C17 1.351(6) .
C16 H16 0.9300 .
C17 C18 1.377(5) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.514(3) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.372(3) .
C21 C26 1.381(3) .
C22 C23 1.376(4) .
C22 H22 0.9300 .
C23 C24 1.371(4) .
C23 H23 0.9300 .
C24 C25 1.359(4) .
C25 C26 1.379(3) .
C25 H25 0.9300 .
C26 H26 0.9300 .
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
O3 S1 N2 C20 -179.90(17) . . . .
O2 S1 N2 C20 49.7(2) . . . .
C21 S1 N2 C20 -64.7(2) . . . .
C9 N1 C1 C2 175.1(2) . . . .
C9 N1 C1 C6 -7.4(3) . . . .
N1 C1 C2 C3 177.0(2) . . . .
C6 C1 C2 C3 -0.6(4) . . . .
C1 C2 C3 C4 -0.4(4) . . . .
C2 C3 C4 C5 1.2(4) . . . .
C3 C4 C5 C6 -1.1(4) . . . .
C4 C5 C6 C1 0.2(3) . . . .
C4 C5 C6 C7 177.2(2) . . . .
N1 C1 C6 C5 -176.9(2) . . . .
C2 C1 C6 C5 0.6(3) . . . .
N1 C1 C6 C7 5.9(3) . . . .
C2 C1 C6 C7 -176.6(2) . . . .
C5 C6 C7 C19 14.1(3) . . . .
C1 C6 C7 C19 -168.84(19) . . . .
C5 C6 C7 C8 145.3(2) . . . .
C1 C6 C7 C8 -37.6(2) . . . .
C5 C6 C7 C11 -107.9(2) . . . .
C1 C6 C7 C11 69.2(2) . . . .
C19 C7 C8 C9 -163.11(18) . . . .
C6 C7 C8 C9 67.7(2) . . . .
C11 C7 C8 C9 -38.2(2) . . . .
C1 N1 C9 C12 164.8(2) . . . .
C1 N1 C9 C8 40.5(3) . . . .
C1 N1 C9 C10 -69.2(3) . . . .
C7 C8 C9 N1 -69.2(2) . . . .
C7 C8 C9 C12 170.1(2) . . . .
C7 C8 C9 C10 48.3(2) . . . .
N1 C9 C10 C13 -56.0(3) . . . .
C12 C9 C10 C13 67.5(3) . . . .
C8 C9 C10 C13 -169.7(2) . . . .
N1 C9 C10 C11 74.6(2) . . . .
C12 C9 C10 C11 -161.9(2) . . . .
C8 C9 C10 C11 -39.1(2) . . . .
C13 C10 C11 O1 -28.7(3) . . . .
C9 C10 C11 O1 -160.0(2) . . . .
C13 C10 C11 C7 147.1(2) . . . .
C9 C10 C11 C7 15.8(2) . . . .
C19 C7 C11 O1 -43.3(3) . . . .
C6 C7 C11 O1 78.8(2) . . . .
C8 C7 C11 O1 -170.56(19) . . . .
C19 C7 C11 C10 140.83(18) . . . .
C6 C7 C11 C10 -97.14(19) . . . .
C8 C7 C11 C10 13.5(2) . . . .
C11 C10 C13 C18 139.5(3) . . . .
C9 C10 C13 C18 -96.7(3) . . . .
C11 C10 C13 C14 -40.9(3) . . . .
C9 C10 C13 C14 82.9(3) . . . .
C18 C13 C14 C15 -0.7(5) . . . .
C10 C13 C14 C15 179.7(3) . . . .
C13 C14 C15 C16 1.3(5) . . . .
C14 C15 C16 C17 -1.4(7) . . . .
C15 C16 C17 C18 0.9(7) . . . .
C16 C17 C18 C13 -0.3(7) . . . .
C14 C13 C18 C17 0.2(5) . . . .
C10 C13 C18 C17 179.8(3) . . . .
C6 C7 C19 C20 175.10(18) . . . .
C8 C7 C19 C20 49.0(3) . . . .
C11 C7 C19 C20 -70.1(2) . . . .
S1 N2 C20 C19 -155.12(17) . . . .
C7 C19 C20 N2 55.9(3) . . . .
O3 S1 C21 C22 66.3(2) . . . .
O2 S1 C21 C22 -163.0(2) . . . .
N2 S1 C21 C22 -48.0(2) . . . .
O3 S1 C21 C26 -113.73(19) . . . .
O2 S1 C21 C26 17.0(2) . . . .
N2 S1 C21 C26 131.97(19) . . . .
C26 C21 C22 C23 -2.1(4) . . . .
S1 C21 C22 C23 177.9(2) . . . .
C21 C22 C23 C24 1.2(4) . . . .
C22 C23 C24 C25 1.0(4) . . . .
C22 C23 C24 N3 -176.6(2) . . . .
O5 N3 C24 C25 22.6(4) . . . .
O4 N3 C24 C25 -157.0(3) . . . .
O5 N3 C24 C23 -159.7(3) . . . .
O4 N3 C24 C23 20.7(4) . . . .
C23 C24 C25 C26 -2.3(4) . . . .
N3 C24 C25 C26 175.3(2) . . . .
C24 C25 C26 C21 1.3(4) . . . .
C22 C21 C26 C25 0.8(4) . . . .
S1 C21 C26 C25 -179.15(17) . . . .
