# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_210428b
_database_code_depnum_ccdc_archive 'CCDC 2189675'
loop_
_audit_author_name
_audit_author_address
'Bo Jiang'
;Jiangsu Normal University
China
;
_audit_update_record             
;
2022-07-12 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H27 N O7 S2'
_chemical_formula_weight         577.65

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.301(2)
_cell_length_b                   8.6273(6)
_cell_length_c                   25.933(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.502(3)
_cell_angle_gamma                90.00
_cell_volume                     5565.8(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2383
_cell_measurement_theta_min      2.565
_cell_measurement_theta_max      25.72

_exptl_crystal_description       block
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2416
_exptl_absorpt_coefficient_mu    0.240
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9099
_exptl_absorpt_correction_T_max  0.9881
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13796
_diffrn_reflns_av_R_equivalents  0.0851
_diffrn_reflns_av_sigmaI/netI    0.0867
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         25.02
_reflns_number_total             4913
_reflns_number_gt                2792
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0581P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00101(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4913
_refine_ls_number_parameters     364
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1120
_refine_ls_R_factor_gt           0.0593
_refine_ls_wR_factor_ref         0.1506
_refine_ls_wR_factor_gt          0.1305
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
N1 N 0.96233(10) 0.2649(3) 0.12711(10) 0.0450(7) Uani 1 1 d . . .
O1 O 0.94118(8) -0.0034(3) 0.18322(9) 0.0521(6) Uani 1 1 d . . .
O2 O 0.78295(9) 0.1387(3) 0.22615(9) 0.0555(7) Uani 1 1 d . . .
O3 O 0.81177(9) 0.3037(3) 0.16701(10) 0.0574(7) Uani 1 1 d . . .
O4 O 1.04854(9) 0.4038(3) 0.12136(11) 0.0721(8) Uani 1 1 d . . .
O5 O 1.03693(10) 0.2719(3) 0.20229(9) 0.0726(8) Uani 1 1 d . . .
O6 O 0.97219(10) 0.2830(3) 0.03382(9) 0.0640(7) Uani 1 1 d . . .
O7 O 0.88468(9) 0.2235(3) 0.05712(9) 0.0598(7) Uani 1 1 d . . .
S1 S 1.02917(4) 0.27575(12) 0.14671(4) 0.0571(3) Uani 1 1 d . . .
S2 S 0.93351(4) 0.30806(11) 0.06582(3) 0.0529(3) Uani 1 1 d . . .
C1 C 0.92713(12) 0.2653(4) 0.16653(13) 0.0460(9) Uani 1 1 d . . .
H1A H 0.9477 0.3017 0.1996 0.055 Uiso 1 1 calc R . .
H1B H 0.8982 0.3385 0.1556 0.055 Uiso 1 1 calc R . .
C2 C 0.90374(13) 0.1142(4) 0.17518(12) 0.0434(8) Uani 1 1 d . . .
C3 C 0.85558(13) 0.0664(4) 0.18428(12) 0.0422(8) Uani 1 1 d . . .
C4 C 0.86270(14) -0.0911(4) 0.20097(13) 0.0492(9) Uani 1 1 d . . .
C5 C 0.91480(15) -0.1285(4) 0.19839(14) 0.0524(9) Uani 1 1 d . . .
C6 C 0.93722(17) -0.2713(5) 0.21078(14) 0.0680(12) Uani 1 1 d . . .
H6 H 0.9723 -0.2942 0.2073 0.082 Uiso 1 1 calc R . .
C7 C 0.9051(2) -0.3779(5) 0.22857(16) 0.0813(14) Uani 1 1 d . . .
H7 H 0.9187 -0.4760 0.2382 0.098 Uiso 1 1 calc R . .
C8 C 0.8529(2) -0.3436(5) 0.23262(16) 0.0787(13) Uani 1 1 d . . .
H8 H 0.8322 -0.4186 0.2455 0.094 Uiso 1 1 calc R . .
C9 C 0.83067(17) -0.2033(5) 0.21839(15) 0.0640(11) Uani 1 1 d . . .
H9 H 0.7950 -0.1827 0.2202 0.077 Uiso 1 1 calc R . .
C10 C 0.80293(14) 0.1497(4) 0.17919(14) 0.0484(9) Uani 1 1 d . . .
C11 C 0.76206(13) 0.0741(4) 0.13682(14) 0.0496(9) Uani 1 1 d . . .
C12 C 0.71531(16) 0.0123(5) 0.14687(16) 0.0715(12) Uani 1 1 d . . .
H12 H 0.7079 0.0166 0.1807 0.086 Uiso 1 1 calc R . .
C13 C 0.67950(18) -0.0557(6) 0.10781(19) 0.0922(16) Uani 1 1 d . . .
H13 H 0.6480 -0.0980 0.1154 0.111 Uiso 1 1 calc R . .
C14 C 0.68898(18) -0.0625(6) 0.05849(18) 0.0908(15) Uani 1 1 d . . .
H14 H 0.6644 -0.1095 0.0321 0.109 Uiso 1 1 calc R . .
C15 C 0.73504(19) 0.0002(6) 0.04767(17) 0.0992(17) Uani 1 1 d . . .
H15 H 0.7420 -0.0042 0.0137 0.119 Uiso 1 1 calc R . .
C16 C 0.77129(16) 0.0699(5) 0.08662(16) 0.0758(13) Uani 1 1 d . . .
H16 H 0.8023 0.1145 0.0787 0.091 Uiso 1 1 calc R . .
C17 C 0.81863(15) 0.1880(5) 0.27144(15) 0.0714(12) Uani 1 1 d . . .
H17A H 0.8487 0.1185 0.2784 0.107 Uiso 1 1 calc R . .
H17B H 0.8003 0.1884 0.3008 0.107 Uiso 1 1 calc R . .
H17C H 0.8311 0.2907 0.2660 0.107 Uiso 1 1 calc R . .
C18 C 0.76418(15) 0.3986(5) 0.15782(18) 0.0829(14) Uani 1 1 d . . .
H18A H 0.7417 0.3679 0.1255 0.124 Uiso 1 1 calc R . .
H18B H 0.7742 0.5053 0.1556 0.124 Uiso 1 1 calc R . .
H18C H 0.7449 0.3857 0.1862 0.124 Uiso 1 1 calc R . .
C19 C 1.05542(13) 0.1067(5) 0.12515(14) 0.0522(9) Uani 1 1 d . . .
C20 C 1.05819(15) -0.0248(6) 0.15520(16) 0.0719(12) Uani 1 1 d . . .
H20 H 1.0450 -0.0241 0.1864 0.086 Uiso 1 1 calc R . .
C21 C 1.08031(19) -0.1569(6) 0.1393(2) 0.0929(15) Uani 1 1 d . . .
H21 H 1.0818 -0.2468 0.1593 0.112 Uiso 1 1 calc R . .
C22 C 1.10031(19) -0.1554(6) 0.0938(2) 0.0941(16) Uani 1 1 d . . .
H22 H 1.1158 -0.2447 0.0831 0.113 Uiso 1 1 calc R . .
C23 C 1.09789(18) -0.0249(6) 0.06404(18) 0.0880(15) Uani 1 1 d . . .
H23 H 1.1115 -0.0260 0.0330 0.106 Uiso 1 1 calc R . .
C24 C 1.07572(15) 0.1072(5) 0.07936(15) 0.0682(11) Uani 1 1 d . . .
H24 H 1.0743 0.1967 0.0592 0.082 Uiso 1 1 calc R . .
C25 C 0.91752(15) 0.5056(4) 0.06676(13) 0.0530(10) Uani 1 1 d . . .
C26 C 0.86905(16) 0.5485(5) 0.07805(14) 0.0639(11) Uani 1 1 d . . .
H26 H 0.8446 0.4744 0.0849 0.077 Uiso 1 1 calc R . .
C27 C 0.8571(2) 0.7034(6) 0.07906(15) 0.0766(13) Uani 1 1 d . . .
H27 H 0.8241 0.7348 0.0865 0.092 Uiso 1 1 calc R . .
C28 C 0.8932(2) 0.8115(5) 0.06933(15) 0.0788(13) Uani 1 1 d . . .
H28 H 0.8850 0.9163 0.0705 0.095 Uiso 1 1 calc R . .
C29 C 0.9413(2) 0.7664(6) 0.05787(16) 0.0800(13) Uani 1 1 d . . .
H29 H 0.9655 0.8408 0.0507 0.096 Uiso 1 1 calc R . .
C30 C 0.95431(16) 0.6134(5) 0.05686(14) 0.0656(11) Uani 1 1 d . . .
H30 H 0.9874 0.5825 0.0496 0.079 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
N1 C1 1.473(3) . ?
N1 S2 1.665(3) . ?
N1 S1 1.677(3) . ?
O1 C5 1.364(4) . ?
O1 C2 1.378(4) . ?
O2 C10 1.404(4) . ?
O2 C17 1.410(4) . ?
O3 C10 1.394(4) . ?
O3 C18 1.439(4) . ?
O4 S1 1.418(3) . ?
O5 S1 1.419(2) . ?
O6 S2 1.410(2) . ?
O7 S2 1.417(2) . ?
S1 C19 1.737(4) . ?
S2 C25 1.753(4) . ?
C1 C2 1.465(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C3 1.348(4) . ?
C3 C4 1.427(4) . ?
C3 C10 1.498(4) . ?
C4 C5 1.371(5) . ?
C4 C9 1.390(5) . ?
C5 C6 1.370(5) . ?
C6 C7 1.363(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.376(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.357(5) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.512(5) . ?
C11 C16 1.364(5) . ?
C11 C12 1.365(4) . ?
C12 C13 1.362(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.345(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.360(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.373(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.371(5) . ?
C19 C24 1.377(5) . ?
C20 C21 1.365(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.366(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.360(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.361(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.363(5) . ?
C25 C30 1.372(5) . ?
C26 C27 1.371(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.361(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.360(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.362(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?

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
C1 N1 S2 116.5(2) . . ?
C1 N1 S1 119.6(2) . . ?
S2 N1 S1 121.24(15) . . ?
C5 O1 C2 105.5(3) . . ?
C10 O2 C17 115.1(3) . . ?
C10 O3 C18 114.6(3) . . ?
O4 S1 O5 119.56(17) . . ?
O4 S1 N1 108.52(15) . . ?
O5 S1 N1 104.59(14) . . ?
O4 S1 C19 108.68(17) . . ?
O5 S1 C19 108.49(18) . . ?
N1 S1 C19 106.21(15) . . ?
O6 S2 O7 120.37(16) . . ?
O6 S2 N1 107.28(15) . . ?
O7 S2 N1 104.73(14) . . ?
O6 S2 C25 110.12(16) . . ?
O7 S2 C25 107.84(17) . . ?
N1 S2 C25 105.43(15) . . ?
C2 C1 N1 114.6(3) . . ?
C2 C1 H1A 108.6 . . ?
N1 C1 H1A 108.6 . . ?
C2 C1 H1B 108.6 . . ?
N1 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
C3 C2 O1 111.5(3) . . ?
C3 C2 C1 134.6(3) . . ?
O1 C2 C1 113.1(3) . . ?
C2 C3 C4 106.1(3) . . ?
C2 C3 C10 131.0(3) . . ?
C4 C3 C10 123.0(3) . . ?
C5 C4 C9 118.3(4) . . ?
C5 C4 C3 106.2(3) . . ?
C9 C4 C3 135.5(4) . . ?
O1 C5 C6 125.2(4) . . ?
O1 C5 C4 110.7(3) . . ?
C6 C5 C4 124.2(4) . . ?
C7 C6 C5 116.0(4) . . ?
C7 C6 H6 122.0 . . ?
C5 C6 H6 122.0 . . ?
C6 C7 C8 121.4(4) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C7 121.7(4) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C4 118.2(4) . . ?
C8 C9 H9 120.9 . . ?
C4 C9 H9 120.9 . . ?
O3 C10 O2 111.0(3) . . ?
O3 C10 C3 107.5(3) . . ?
O2 C10 C3 110.2(3) . . ?
O3 C10 C11 111.3(3) . . ?
O2 C10 C11 107.1(3) . . ?
C3 C10 C11 109.7(3) . . ?
C16 C11 C12 118.5(4) . . ?
C16 C11 C10 119.4(3) . . ?
C12 C11 C10 122.1(3) . . ?
C13 C12 C11 120.5(4) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C12 121.1(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 119.1(4) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C14 C15 C16 120.3(4) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 120.4(4) . . ?
C11 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
O2 C17 H17A 109.5 . . ?
O2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 H18A 109.5 . . ?
O3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 120.3(4) . . ?
C20 C19 S1 119.7(3) . . ?
C24 C19 S1 120.0(3) . . ?
C21 C20 C19 120.0(4) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 119.3(5) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C23 C22 C21 120.8(5) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 120.4(4) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 119.2(4) . . ?
C23 C24 H24 120.4 . . ?
C19 C24 H24 120.4 . . ?
C26 C25 C30 121.6(4) . . ?
C26 C25 S2 119.1(3) . . ?
C30 C25 S2 119.3(3) . . ?
C25 C26 C27 118.6(4) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 H26 120.7 . . ?
C28 C27 C26 120.4(5) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.1(5) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 120.7(4) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C29 C30 C25 118.6(4) . . ?
C29 C30 H30 120.7 . . ?
C25 C30 H30 120.7 . . ?

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
C1 N1 S1 O4 -124.5(3) . . . . ?
S2 N1 S1 O4 36.3(2) . . . . ?
C1 N1 S1 O5 4.2(3) . . . . ?
S2 N1 S1 O5 165.00(19) . . . . ?
C1 N1 S1 C19 118.8(3) . . . . ?
S2 N1 S1 C19 -80.4(2) . . . . ?
C1 N1 S2 O6 -173.1(2) . . . . ?
S1 N1 S2 O6 25.6(2) . . . . ?
C1 N1 S2 O7 -44.1(3) . . . . ?
S1 N1 S2 O7 154.55(18) . . . . ?
C1 N1 S2 C25 69.6(3) . . . . ?
S1 N1 S2 C25 -91.8(2) . . . . ?
S2 N1 C1 C2 92.8(3) . . . . ?
S1 N1 C1 C2 -105.5(3) . . . . ?
C5 O1 C2 C3 -0.6(4) . . . . ?
C5 O1 C2 C1 171.0(3) . . . . ?
N1 C1 C2 C3 -141.8(4) . . . . ?
N1 C1 C2 O1 49.2(4) . . . . ?
O1 C2 C3 C4 2.0(4) . . . . ?
C1 C2 C3 C4 -167.1(4) . . . . ?
O1 C2 C3 C10 -177.8(3) . . . . ?
C1 C2 C3 C10 13.1(6) . . . . ?
C2 C3 C4 C5 -2.6(4) . . . . ?
C10 C3 C4 C5 177.2(3) . . . . ?
C2 C3 C4 C9 176.4(4) . . . . ?
C10 C3 C4 C9 -3.8(6) . . . . ?
C2 O1 C5 C6 -179.6(3) . . . . ?
C2 O1 C5 C4 -1.2(4) . . . . ?
C9 C4 C5 O1 -176.9(3) . . . . ?
C3 C4 C5 O1 2.4(4) . . . . ?
C9 C4 C5 C6 1.6(6) . . . . ?
C3 C4 C5 C6 -179.2(3) . . . . ?
O1 C5 C6 C7 175.6(3) . . . . ?
C4 C5 C6 C7 -2.6(6) . . . . ?
C5 C6 C7 C8 1.3(6) . . . . ?
C6 C7 C8 C9 1.1(7) . . . . ?
C7 C8 C9 C4 -2.1(6) . . . . ?
C5 C4 C9 C8 0.9(5) . . . . ?
C3 C4 C9 C8 -178.1(4) . . . . ?
C18 O3 C10 O2 -62.7(4) . . . . ?
C18 O3 C10 C3 176.7(3) . . . . ?
C18 O3 C10 C11 56.6(4) . . . . ?
C17 O2 C10 O3 -65.1(4) . . . . ?
C17 O2 C10 C3 54.0(4) . . . . ?
C17 O2 C10 C11 173.3(3) . . . . ?
C2 C3 C10 O3 -5.8(5) . . . . ?
C4 C3 C10 O3 174.5(3) . . . . ?
C2 C3 C10 O2 -126.9(4) . . . . ?
C4 C3 C10 O2 53.3(4) . . . . ?
C2 C3 C10 C11 115.3(4) . . . . ?
C4 C3 C10 C11 -64.4(4) . . . . ?
O3 C10 C11 C16 57.9(4) . . . . ?
O2 C10 C11 C16 179.4(3) . . . . ?
C3 C10 C11 C16 -60.9(4) . . . . ?
O3 C10 C11 C12 -120.8(4) . . . . ?
O2 C10 C11 C12 0.8(5) . . . . ?
C3 C10 C11 C12 120.4(4) . . . . ?
C16 C11 C12 C13 1.7(6) . . . . ?
C10 C11 C12 C13 -179.6(4) . . . . ?
C11 C12 C13 C14 -0.5(8) . . . . ?
C12 C13 C14 C15 -0.3(8) . . . . ?
C13 C14 C15 C16 -0.2(8) . . . . ?
C12 C11 C16 C15 -2.2(7) . . . . ?
C10 C11 C16 C15 179.2(4) . . . . ?
C14 C15 C16 C11 1.4(8) . . . . ?
O4 S1 C19 C20 158.1(3) . . . . ?
O5 S1 C19 C20 26.6(3) . . . . ?
N1 S1 C19 C20 -85.3(3) . . . . ?
O4 S1 C19 C24 -18.8(3) . . . . ?
O5 S1 C19 C24 -150.2(3) . . . . ?
N1 S1 C19 C24 97.8(3) . . . . ?
C24 C19 C20 C21 -1.1(6) . . . . ?
S1 C19 C20 C21 -178.0(3) . . . . ?
C19 C20 C21 C22 1.1(7) . . . . ?
C20 C21 C22 C23 -0.7(8) . . . . ?
C21 C22 C23 C24 0.4(8) . . . . ?
C22 C23 C24 C19 -0.5(7) . . . . ?
C20 C19 C24 C23 0.8(6) . . . . ?
S1 C19 C24 C23 177.6(3) . . . . ?
O6 S2 C25 C26 155.9(3) . . . . ?
O7 S2 C25 C26 22.7(3) . . . . ?
N1 S2 C25 C26 -88.7(3) . . . . ?
O6 S2 C25 C30 -25.0(3) . . . . ?
O7 S2 C25 C30 -158.1(3) . . . . ?
N1 S2 C25 C30 90.4(3) . . . . ?
C30 C25 C26 C27 0.4(5) . . . . ?
S2 C25 C26 C27 179.5(3) . . . . ?
C25 C26 C27 C28 -0.4(6) . . . . ?
C26 C27 C28 C29 0.8(6) . . . . ?
C27 C28 C29 C30 -1.1(7) . . . . ?
C28 C29 C30 C25 1.1(6) . . . . ?
C26 C25 C30 C29 -0.7(6) . . . . ?
S2 C25 C30 C29 -179.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.055
