# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# 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. 
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data_6janb_0m
_database_code_depnum_ccdc_archive 'CCDC 2195913'
loop_
_audit_author_name
_audit_author_address
'Shivani Arora'
;Indian Institute of Technology Kanpur
India
;
_audit_update_record             
;
2022-08-09 deposited with the CCDC.	2022-10-24 downloaded from the CCDC.
;
_audit_creation_date             2022-04-17
_audit_creation_method           
;
Olex2 1.3
(compiled 2019.09.11 svn.r3662 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
"5,6,7-trimethoxy-2-phenylspiro [indene-1,2'- [1,3] dithiolane"
_chemical_formula_moiety         'C20 H20 O3 S2'
_chemical_formula_sum            'C20 H20 O3 S2'
_chemical_formula_weight         372.48
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.8279(5)
_cell_length_b                   6.5765(3)
_cell_length_c                   25.3023(11)
_cell_angle_alpha                90
_cell_angle_beta                 101.4210(10)
_cell_angle_gamma                90
_cell_volume                     1766.09(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9836
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   0.945
_shelx_estimated_absorpt_T_min   0.933
_exptl_absorpt_coefficient_mu    0.318
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6790
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1014 before and 0.0490 after correction.
The Ratio of minimum to maximum transmission is 0.9106.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            26159
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.308
_diffrn_reflns_theta_min         3.205
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3915
_reflns_number_total             4372
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.379
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         4372
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0369
_refine_ls_restrained_S_all      1.131
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0228P)²+1.5705P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0822
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C9(H9), C11(H11), C12(H12), C15(H15), C14(H14), C13(H13)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C19(H19A,H19B,H19C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.42072(4) 0.99941(6) 0.69174(2) 0.01515(9) Uani 1 1 d . . . . .
S2 S 0.62172(3) 0.69238(6) 0.68942(2) 0.01555(9) Uani 1 1 d . . . . .
O2 O 0.29886(10) 0.67445(16) 0.48191(4) 0.0156(2) Uani 1 1 d . . . . .
O3 O 0.13281(10) 0.39045(17) 0.49968(4) 0.0170(2) Uani 1 1 d . . . . .
O1 O 0.46304(10) 0.85305(16) 0.56651(4) 0.0139(2) Uani 1 1 d . . . . .
C6 C 0.37328(13) 0.6555(2) 0.62926(6) 0.0120(3) Uani 1 1 d . . . . .
C1 C 0.37614(13) 0.7141(2) 0.57690(6) 0.0117(3) Uani 1 1 d . . . . .
C8 C 0.40253(13) 0.5887(2) 0.72319(6) 0.0123(3) Uani 1 1 d . . . . .
C5 C 0.28729(13) 0.5084(2) 0.63890(6) 0.0122(3) Uani 1 1 d . . . . .
C4 C 0.20322(14) 0.4157(2) 0.59719(6) 0.0138(3) Uani 1 1 d . . . . .
H4 H 0.145594 0.319548 0.604208 0.017 Uiso 1 1 calc R U . . .
C2 C 0.29450(14) 0.6183(2) 0.53398(6) 0.0124(3) Uani 1 1 d . . . . .
C9 C 0.30712(14) 0.4727(2) 0.69696(6) 0.0134(3) Uani 1 1 d . . . . .
H9 H 0.260489 0.382628 0.713504 0.016 Uiso 1 1 calc R U . . .
C7 C 0.45161(13) 0.7257(2) 0.68257(6) 0.0113(3) Uani 1 1 d . . . . .
C3 C 0.20811(14) 0.4716(2) 0.54457(6) 0.0131(3) Uani 1 1 d . . . . .
C10 C 0.46082(14) 0.5730(2) 0.78093(6) 0.0138(3) Uani 1 1 d . . . . .
C11 C 0.52428(14) 0.7350(2) 0.81033(6) 0.0158(3) Uani 1 1 d . . . . .
H11 H 0.525463 0.861497 0.794025 0.019 Uiso 1 1 calc R U . . .
C20 C 0.04712(15) 0.2367(2) 0.50915(6) 0.0189(3) Uani 1 1 d . . . . .
H20A H -0.002855 0.193073 0.475391 0.028 Uiso 1 1 calc R U . . .
H20B H -0.007000 0.290192 0.531596 0.028 Uiso 1 1 calc R U . . .
H20C H 0.093466 0.123056 0.526856 0.028 Uiso 1 1 calc R U . . .
C12 C 0.58552(15) 0.7090(3) 0.86354(6) 0.0189(3) Uani 1 1 d . . . . .
H12 H 0.627450 0.818186 0.882482 0.023 Uiso 1 1 calc R U . . .
C15 C 0.45754(16) 0.3862(2) 0.80741(6) 0.0189(3) Uani 1 1 d . . . . .
H15 H 0.413514 0.277660 0.789055 0.023 Uiso 1 1 calc R U . . .
C19 C 0.34122(15) 0.5173(3) 0.44996(6) 0.0196(3) Uani 1 1 d . . . . .
H19A H 0.365477 0.577172 0.418942 0.029 Uiso 1 1 calc R U . . .
H19B H 0.274210 0.421843 0.438469 0.029 Uiso 1 1 calc R U . . .
H19C H 0.412172 0.448275 0.471196 0.029 Uiso 1 1 calc R U . . .
C16 C 0.65887(16) 0.9527(3) 0.67555(7) 0.0222(3) Uani 1 1 d . . . . .
H16A H 0.748089 0.978163 0.688139 0.027 Uiso 1 1 calc R U . . .
H16B H 0.638080 0.978686 0.637079 0.027 Uiso 1 1 calc R U . . .
C18 C 0.40905(16) 1.0454(2) 0.54647(7) 0.0197(3) Uani 1 1 d . . . . .
H18A H 0.348024 1.023611 0.513867 0.029 Uiso 1 1 calc R U . . .
H18B H 0.474411 1.133416 0.539193 0.029 Uiso 1 1 calc R U . . .
H18C H 0.368777 1.107097 0.573003 0.029 Uiso 1 1 calc R U . . .
C17 C 0.58195(16) 1.0893(3) 0.70482(7) 0.0240(4) Uani 1 1 d . . . . .
H17A H 0.584947 1.228220 0.692259 0.029 Uiso 1 1 calc R U . . .
H17B H 0.616236 1.086640 0.743260 0.029 Uiso 1 1 calc R U . . .
C14 C 0.51906(17) 0.3610(3) 0.86065(6) 0.0223(3) Uani 1 1 d . . . . .
H14 H 0.516311 0.235977 0.877576 0.027 Uiso 1 1 calc R U . . .
C13 C 0.58472(15) 0.5222(3) 0.88866(6) 0.0202(3) Uani 1 1 d . . . . .
H13 H 0.627780 0.504613 0.923995 0.024 Uiso 1 1 calc R U . . .


_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
S1 C7 1.8539(15) . ?
S1 C17 1.8106(17) . ?
S2 C7 1.8288(15) . ?
S2 C16 1.8085(18) . ?
O2 C2 1.3781(17) . ?
O2 C19 1.4417(18) . ?
O3 C3 1.3685(17) . ?
O3 C20 1.4246(18) . ?
O1 C1 1.3740(17) . ?
O1 C18 1.4428(18) . ?
C6 C1 1.386(2) . ?
C6 C5 1.398(2) . ?
C6 C7 1.5161(19) . ?
C1 C2 1.406(2) . ?
C8 C9 1.348(2) . ?
C8 C7 1.538(2) . ?
C8 C10 1.476(2) . ?
C5 C4 1.391(2) . ?
C5 C9 1.461(2) . ?
C4 H4 0.9300 . ?
C4 C3 1.392(2) . ?
C2 C3 1.406(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.399(2) . ?
C10 C15 1.403(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.389(2) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.384(2) . ?
C15 H15 0.9300 . ?
C15 C14 1.389(2) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.515(2) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C14 H14 0.9300 . ?
C14 C13 1.390(2) . ?
C13 H13 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
C17 S1 C7 98.54(7) . . ?
C16 S2 C7 97.28(7) . . ?
C2 O2 C19 114.76(12) . . ?
C3 O3 C20 115.97(12) . . ?
C1 O1 C18 113.91(11) . . ?
C1 C6 C5 120.06(13) . . ?
C1 C6 C7 130.67(13) . . ?
C5 C6 C7 109.27(12) . . ?
O1 C1 C6 120.89(13) . . ?
O1 C1 C2 119.99(13) . . ?
C6 C1 C2 118.97(13) . . ?
C9 C8 C7 109.56(12) . . ?
C9 C8 C10 125.69(13) . . ?
C10 C8 C7 124.46(13) . . ?
C6 C5 C9 108.45(13) . . ?
C4 C5 C6 121.98(13) . . ?
C4 C5 C9 129.54(14) . . ?
C5 C4 H4 121.1 . . ?
C5 C4 C3 117.85(13) . . ?
C3 C4 H4 121.1 . . ?
O2 C2 C1 118.88(13) . . ?
O2 C2 C3 121.07(13) . . ?
C3 C2 C1 120.03(13) . . ?
C8 C9 C5 110.48(13) . . ?
C8 C9 H9 124.8 . . ?
C5 C9 H9 124.8 . . ?
S2 C7 S1 107.93(7) . . ?
C6 C7 S1 108.89(10) . . ?
C6 C7 S2 115.04(10) . . ?
C6 C7 C8 102.12(11) . . ?
C8 C7 S1 112.97(10) . . ?
C8 C7 S2 109.95(10) . . ?
O3 C3 C4 124.17(13) . . ?
O3 C3 C2 114.76(13) . . ?
C4 C3 C2 121.06(13) . . ?
C11 C10 C8 122.78(14) . . ?
C11 C10 C15 117.97(14) . . ?
C15 C10 C8 119.20(13) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.79(15) . . ?
C12 C11 H11 119.6 . . ?
O3 C20 H20A 109.5 . . ?
O3 C20 H20B 109.5 . . ?
O3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.59(15) . . ?
C13 C12 H12 119.7 . . ?
C10 C15 H15 119.5 . . ?
C14 C15 C10 121.00(15) . . ?
C14 C15 H15 119.5 . . ?
O2 C19 H19A 109.5 . . ?
O2 C19 H19B 109.5 . . ?
O2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
S2 C16 H16A 110.2 . . ?
S2 C16 H16B 110.2 . . ?
H16A C16 H16B 108.5 . . ?
C17 C16 S2 107.56(11) . . ?
C17 C16 H16A 110.2 . . ?
C17 C16 H16B 110.2 . . ?
O1 C18 H18A 109.5 . . ?
O1 C18 H18B 109.5 . . ?
O1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
S1 C17 H17A 110.0 . . ?
S1 C17 H17B 110.0 . . ?
C16 C17 S1 108.70(11) . . ?
C16 C17 H17A 109.9 . . ?
C16 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
C15 C14 H14 119.9 . . ?
C15 C14 C13 120.12(16) . . ?
C13 C14 H14 119.9 . . ?
C12 C13 C14 119.48(15) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?

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
S2 C16 C17 S1 -47.19(14) . . . . ?
O2 C2 C3 O3 1.0(2) . . . . ?
O2 C2 C3 C4 -179.62(13) . . . . ?
O1 C1 C2 O2 -3.5(2) . . . . ?
O1 C1 C2 C3 178.09(13) . . . . ?
C6 C1 C2 O2 -178.99(13) . . . . ?
C6 C1 C2 C3 2.6(2) . . . . ?
C6 C5 C4 C3 1.0(2) . . . . ?
C6 C5 C9 C8 -0.99(17) . . . . ?
C1 C6 C5 C4 0.4(2) . . . . ?
C1 C6 C5 C9 178.54(13) . . . . ?
C1 C6 C7 S1 63.31(18) . . . . ?
C1 C6 C7 S2 -57.95(19) . . . . ?
C1 C6 C7 C8 -176.99(15) . . . . ?
C1 C2 C3 O3 179.36(13) . . . . ?
C1 C2 C3 C4 -1.2(2) . . . . ?
C8 C10 C11 C12 -175.30(14) . . . . ?
C8 C10 C15 C14 175.32(14) . . . . ?
C5 C6 C1 O1 -177.62(13) . . . . ?
C5 C6 C1 C2 -2.1(2) . . . . ?
C5 C6 C7 S1 -116.66(11) . . . . ?
C5 C6 C7 S2 122.08(11) . . . . ?
C5 C6 C7 C8 3.04(15) . . . . ?
C5 C4 C3 O3 178.79(13) . . . . ?
C5 C4 C3 C2 -0.6(2) . . . . ?
C4 C5 C9 C8 177.02(15) . . . . ?
C9 C8 C7 S1 113.12(12) . . . . ?
C9 C8 C7 S2 -126.25(11) . . . . ?
C9 C8 C7 C6 -3.67(15) . . . . ?
C9 C8 C10 C11 -156.09(15) . . . . ?
C9 C8 C10 C15 26.6(2) . . . . ?
C9 C5 C4 C3 -176.76(14) . . . . ?
C7 S1 C17 C16 29.51(13) . . . . ?
C7 S2 C16 C17 41.88(13) . . . . ?
C7 C6 C1 O1 2.4(2) . . . . ?
C7 C6 C1 C2 177.88(14) . . . . ?
C7 C6 C5 C4 -179.67(13) . . . . ?
C7 C6 C5 C9 -1.48(16) . . . . ?
C7 C8 C9 C5 3.00(17) . . . . ?
C7 C8 C10 C11 30.8(2) . . . . ?
C7 C8 C10 C15 -146.55(15) . . . . ?
C10 C8 C9 C5 -170.97(13) . . . . ?
C10 C8 C7 S1 -72.82(16) . . . . ?
C10 C8 C7 S2 47.82(16) . . . . ?
C10 C8 C7 C6 170.39(13) . . . . ?
C10 C11 C12 C13 -0.2(2) . . . . ?
C10 C15 C14 C13 0.3(3) . . . . ?
C11 C10 C15 C14 -2.1(2) . . . . ?
C11 C12 C13 C14 -1.7(2) . . . . ?
C20 O3 C3 C4 -1.3(2) . . . . ?
C20 O3 C3 C2 178.06(13) . . . . ?
C15 C10 C11 C12 2.1(2) . . . . ?
C15 C14 C13 C12 1.7(3) . . . . ?
C19 O2 C2 C1 114.58(15) . . . . ?
C19 O2 C2 C3 -67.01(18) . . . . ?
C16 S2 C7 S1 -20.97(9) . . . . ?
C16 S2 C7 C6 100.81(11) . . . . ?
C16 S2 C7 C8 -144.61(10) . . . . ?
C18 O1 C1 C6 -111.48(15) . . . . ?
C18 O1 C1 C2 73.09(17) . . . . ?
C17 S1 C7 S2 -1.50(9) . . . . ?
C17 S1 C7 C6 -127.01(11) . . . . ?
C17 S1 C7 C8 120.29(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
