# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# 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_atk11_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2418286'
loop_
_audit_author_name
_audit_author_address
'Ujjwal Jyoti Goswami'
;Indian Institute of Technology Guwahati
India
;
_audit_update_record             
;
2025-01-20 deposited with the CCDC.	2025-03-04 downloaded from the CCDC.
;
_audit_creation_date             2025-01-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H19 N O4 S'
_chemical_formula_sum            'C26 H19 N O4 S'
_chemical_formula_weight         441.48
_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'
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'

_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                   7.1781(12)
_cell_length_b                   25.329(4)
_cell_length_c                   11.7749(18)
_cell_angle_alpha                90
_cell_angle_beta                 92.840(4)
_cell_angle_gamma                90
_cell_volume                     2138.2(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9895
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.186
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6275
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1560 before and 0.0755 after correction.
The Ratio of minimum to maximum transmission is 0.8416.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            49593
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.994
_diffrn_reflns_theta_min         1.608
_diffrn_ambient_temperature      295.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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           1.4
_diffrn_source_power             0.07
_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                3607
_reflns_number_total             4187
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.265
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         4187
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0591
_refine_ls_restrained_S_all      1.196
_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)+(0.0254P)²+1.8004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1201
_refine_ls_wR_factor_ref         0.1244
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C19(H19), C23(H23), C24(H24), C17(H17), C13(H13), C5(H5), C2(H2),
 C14(H14), C4(H4), C3(H3A), C16(H16)
2.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C18(H18A,H18B,H18C)
2.c Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
S2 S 0.29469(9) 0.54613(2) 0.40038(5) 0.04062(17) Uani 1 1 d . . . . .
O1 O 0.3978(2) 0.64170(6) 0.34382(14) 0.0443(4) Uani 1 1 d . . . . .
O4 O -0.0201(3) 0.26625(7) 0.48622(17) 0.0602(5) Uani 1 1 d . . . . .
O2 O 0.4925(4) 0.68568(7) 0.67874(17) 0.0719(7) Uani 1 1 d . . . . .
O3 O 0.1868(4) 0.42931(8) 0.77549(16) 0.0705(6) Uani 1 1 d . . . . .
H3 H 0.217026 0.455493 0.739816 0.106 Uiso 1 1 calc R U . . .
N1 N 0.2336(3) 0.48570(7) 0.59132(17) 0.0410(5) Uani 1 1 d . . . . .
C20 C 0.1368(3) 0.39570(9) 0.5833(2) 0.0386(5) Uani 1 1 d . . . . .
C21 C 0.0828(3) 0.35301(9) 0.5148(2) 0.0421(6) Uani 1 1 d . . . . .
H21 H 0.080850 0.356610 0.436101 0.051 Uiso 1 1 calc R U . . .
C8 C 0.3953(3) 0.62010(9) 0.5446(2) 0.0374(5) Uani 1 1 d . . . . .
C12 C 0.3390(4) 0.57417(9) 0.7395(2) 0.0449(6) Uani 1 1 d . . . . .
C1 C 0.4558(3) 0.69247(9) 0.3719(2) 0.0427(6) Uani 1 1 d . . . . .
C10 C 0.3421(3) 0.57588(9) 0.6137(2) 0.0383(5) Uani 1 1 d . . . . .
C6 C 0.4922(3) 0.70805(9) 0.4834(2) 0.0417(6) Uani 1 1 d . . . . .
C22 C 0.0319(3) 0.30524(9) 0.5617(2) 0.0440(6) Uani 1 1 d . . . . .
C9 C 0.3717(3) 0.60916(9) 0.4313(2) 0.0368(5) Uani 1 1 d . . . . .
C11 C 0.2862(3) 0.53372(9) 0.5474(2) 0.0385(5) Uani 1 1 d . . . . .
C7 C 0.4625(4) 0.67226(9) 0.5799(2) 0.0448(6) Uani 1 1 d . . . . .
C19 C 0.1877(3) 0.44518(9) 0.5308(2) 0.0400(5) Uani 1 1 d . . . . .
H19 H 0.186910 0.447538 0.451977 0.048 Uiso 1 1 calc R U . . .
C23 C 0.0377(4) 0.29984(10) 0.6784(2) 0.0500(7) Uani 1 1 d . . . . .
H23 H 0.005993 0.267759 0.710706 0.060 Uiso 1 1 calc R U . . .
C24 C 0.0901(4) 0.34178(11) 0.7474(2) 0.0554(7) Uani 1 1 d . . . . .
H24 H 0.092439 0.337658 0.825928 0.067 Uiso 1 1 calc R U . . .
C25 C 0.1394(4) 0.38994(10) 0.7021(2) 0.0481(6) Uani 1 1 d . . . . .
C17 C 0.4983(5) 0.58141(11) 0.8082(2) 0.0599(8) Uani 1 1 d . . . . .
H17 H 0.610667 0.589158 0.775724 0.072 Uiso 1 1 calc R U . . .
C13 C 0.1745(5) 0.56319(11) 0.7910(2) 0.0563(7) Uani 1 1 d . . . . .
H13 H 0.065387 0.558148 0.746389 0.068 Uiso 1 1 calc R U . . .
C5 C 0.5568(4) 0.75964(10) 0.5027(3) 0.0527(7) Uani 1 1 d . . . . .
H5 H 0.584942 0.771035 0.576600 0.063 Uiso 1 1 calc R U . . .
C2 C 0.4756(4) 0.72653(11) 0.2809(3) 0.0562(7) Uani 1 1 d . . . . .
H2 H 0.447407 0.715454 0.206753 0.067 Uiso 1 1 calc R U . . .
C15 C 0.3274(6) 0.56645(12) 0.9771(3) 0.0699(10) Uani 1 1 d . . . . .
C14 C 0.1700(5) 0.55957(11) 0.9087(3) 0.0681(9) Uani 1 1 d . . . . .
H14 H 0.057537 0.552325 0.941452 0.082 Uiso 1 1 calc R U . . .
C4 C 0.5787(4) 0.79352(11) 0.4133(3) 0.0623(8) Uani 1 1 d . . . . .
H4 H 0.621340 0.827714 0.426980 0.075 Uiso 1 1 calc R U . . .
C26 C -0.0681(4) 0.21609(11) 0.5330(3) 0.0643(8) Uani 1 1 d . . . . .
H26A H 0.037854 0.201900 0.575593 0.096 Uiso 1 1 calc R U . . .
H26B H -0.104639 0.192289 0.472441 0.096 Uiso 1 1 calc R U . . .
H26C H -0.169658 0.220474 0.582203 0.096 Uiso 1 1 calc R U . . .
C3 C 0.5378(4) 0.77695(12) 0.3030(3) 0.0642(8) Uani 1 1 d . . . . .
H3A H 0.552495 0.800227 0.243002 0.077 Uiso 1 1 calc R U . . .
C16 C 0.4917(6) 0.57715(12) 0.9260(3) 0.0741(10) Uani 1 1 d . . . . .
H16 H 0.600682 0.581645 0.971102 0.089 Uiso 1 1 calc R U . . .
C18 C 0.3210(8) 0.56266(16) 1.1055(3) 0.1110(16) Uani 1 1 d . . . . .
H18A H 0.252298 0.592066 1.133351 0.166 Uiso 1 1 calc R U . . .
H18B H 0.445704 0.563189 1.138851 0.166 Uiso 1 1 calc R U . . .
H18C H 0.260835 0.530339 1.125361 0.166 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
S2 C9 1.723(2) . ?
S2 C11 1.763(2) . ?
O1 C1 1.387(3) . ?
O1 C9 1.340(3) . ?
O4 C22 1.368(3) . ?
O4 C26 1.434(3) . ?
O2 C7 1.221(3) . ?
O3 H3 0.8200 . ?
O3 C25 1.352(3) . ?
N1 C11 1.382(3) . ?
N1 C19 1.283(3) . ?
C20 C21 1.393(3) . ?
C20 C19 1.452(3) . ?
C20 C25 1.405(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.387(3) . ?
C8 C10 1.447(3) . ?
C8 C9 1.365(3) . ?
C8 C7 1.460(3) . ?
C12 C10 1.483(3) . ?
C12 C17 1.380(4) . ?
C12 C13 1.383(4) . ?
C1 C6 1.383(4) . ?
C1 C2 1.388(4) . ?
C10 C11 1.371(3) . ?
C6 C7 1.478(3) . ?
C6 C5 1.401(3) . ?
C22 C23 1.380(4) . ?
C19 H19 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.378(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.384(4) . ?
C17 H17 0.9300 . ?
C17 C16 1.395(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.391(4) . ?
C5 H5 0.9300 . ?
C5 C4 1.373(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.373(4) . ?
C15 C14 1.366(5) . ?
C15 C16 1.377(5) . ?
C15 C18 1.517(4) . ?
C14 H14 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.383(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C3 H3A 0.9300 . ?
C16 H16 0.9300 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
C9 S2 C11 89.08(11) . . ?
C9 O1 C1 116.03(19) . . ?
C22 O4 C26 117.0(2) . . ?
C25 O3 H3 109.5 . . ?
C19 N1 C11 124.3(2) . . ?
C21 C20 C19 119.4(2) . . ?
C21 C20 C25 119.1(2) . . ?
C25 C20 C19 121.5(2) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.2(2) . . ?
C22 C21 H21 119.4 . . ?
C10 C8 C7 129.3(2) . . ?
C9 C8 C10 111.7(2) . . ?
C9 C8 C7 119.0(2) . . ?
C17 C12 C10 121.9(3) . . ?
C17 C12 C13 118.1(3) . . ?
C13 C12 C10 120.0(2) . . ?
O1 C1 C2 115.7(2) . . ?
C6 C1 O1 122.1(2) . . ?
C6 C1 C2 122.2(2) . . ?
C8 C10 C12 127.0(2) . . ?
C11 C10 C8 111.1(2) . . ?
C11 C10 C12 121.9(2) . . ?
C1 C6 C7 121.8(2) . . ?
C1 C6 C5 117.7(2) . . ?
C5 C6 C7 120.4(2) . . ?
O4 C22 C21 116.1(2) . . ?
O4 C22 C23 124.7(2) . . ?
C23 C22 C21 119.2(2) . . ?
O1 C9 S2 117.61(17) . . ?
O1 C9 C8 127.7(2) . . ?
C8 C9 S2 114.69(17) . . ?
N1 C11 S2 123.23(18) . . ?
C10 C11 S2 113.41(18) . . ?
C10 C11 N1 123.3(2) . . ?
O2 C7 C8 124.3(2) . . ?
O2 C7 C6 122.5(2) . . ?
C8 C7 C6 113.2(2) . . ?
N1 C19 C20 121.1(2) . . ?
N1 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.3(2) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.3(3) . . ?
C25 C24 H24 119.3 . . ?
O3 C25 C20 123.4(2) . . ?
O3 C25 C24 117.7(2) . . ?
C24 C25 C20 119.0(2) . . ?
C12 C17 H17 119.8 . . ?
C12 C17 C16 120.3(3) . . ?
C16 C17 H17 119.8 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.9(3) . . ?
C14 C13 H13 119.6 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.6(3) . . ?
C4 C5 H5 119.7 . . ?
C1 C2 H2 120.8 . . ?
C3 C2 C1 118.5(3) . . ?
C3 C2 H2 120.8 . . ?
C14 C15 C16 118.0(3) . . ?
C14 C15 C18 120.9(4) . . ?
C16 C15 C18 121.1(4) . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.3(3) . . ?
C15 C14 H14 119.3 . . ?
C5 C4 H4 119.9 . . ?
C5 C4 C3 120.2(3) . . ?
C3 C4 H4 119.9 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C2 C3 C4 120.8(3) . . ?
C2 C3 H3A 119.6 . . ?
C4 C3 H3A 119.6 . . ?
C17 C16 H16 119.3 . . ?
C15 C16 C17 121.4(3) . . ?
C15 C16 H16 119.3 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C6 C7 -3.1(4) . . . . ?
O1 C1 C6 C5 177.7(2) . . . . ?
O1 C1 C2 C3 -178.2(2) . . . . ?
O4 C22 C23 C24 -179.2(3) . . . . ?
C20 C21 C22 O4 179.4(2) . . . . ?
C20 C21 C22 C23 -0.9(4) . . . . ?
C21 C20 C19 N1 178.3(2) . . . . ?
C21 C20 C25 O3 -178.9(3) . . . . ?
C21 C20 C25 C24 0.7(4) . . . . ?
C21 C22 C23 C24 1.2(4) . . . . ?
C8 C10 C11 S2 -0.4(3) . . . . ?
C8 C10 C11 N1 177.8(2) . . . . ?
C12 C10 C11 S2 177.87(19) . . . . ?
C12 C10 C11 N1 -3.9(4) . . . . ?
C12 C17 C16 C15 -0.9(5) . . . . ?
C12 C13 C14 C15 -0.3(4) . . . . ?
C1 O1 C9 S2 178.60(16) . . . . ?
C1 O1 C9 C8 0.0(3) . . . . ?
C1 C6 C7 O2 -179.3(3) . . . . ?
C1 C6 C7 C8 0.9(3) . . . . ?
C1 C6 C5 C4 1.3(4) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C10 C8 C9 S2 -2.3(3) . . . . ?
C10 C8 C9 O1 176.3(2) . . . . ?
C10 C8 C7 O2 3.6(4) . . . . ?
C10 C8 C7 C6 -176.6(2) . . . . ?
C10 C12 C17 C16 -177.1(2) . . . . ?
C10 C12 C13 C14 177.7(2) . . . . ?
C6 C1 C2 C3 1.6(4) . . . . ?
C6 C5 C4 C3 -0.2(4) . . . . ?
C22 C23 C24 C25 -0.5(4) . . . . ?
C9 S2 C11 N1 -178.9(2) . . . . ?
C9 S2 C11 C10 -0.73(19) . . . . ?
C9 O1 C1 C6 2.7(3) . . . . ?
C9 O1 C1 C2 -177.6(2) . . . . ?
C9 C8 C10 C12 -176.5(2) . . . . ?
C9 C8 C10 C11 1.7(3) . . . . ?
C9 C8 C7 O2 -178.2(3) . . . . ?
C9 C8 C7 C6 1.6(3) . . . . ?
C11 S2 C9 O1 -177.03(19) . . . . ?
C11 S2 C9 C8 1.76(19) . . . . ?
C11 N1 C19 C20 179.0(2) . . . . ?
C7 C8 C10 C12 1.8(4) . . . . ?
C7 C8 C10 C11 179.9(2) . . . . ?
C7 C8 C9 S2 179.23(18) . . . . ?
C7 C8 C9 O1 -2.1(4) . . . . ?
C7 C6 C5 C4 -177.9(3) . . . . ?
C19 N1 C11 S2 0.8(3) . . . . ?
C19 N1 C11 C10 -177.3(2) . . . . ?
C19 C20 C21 C22 -179.5(2) . . . . ?
C19 C20 C25 O3 0.7(4) . . . . ?
C19 C20 C25 C24 -179.8(2) . . . . ?
C23 C24 C25 O3 179.1(3) . . . . ?
C23 C24 C25 C20 -0.4(4) . . . . ?
C25 C20 C21 C22 0.0(4) . . . . ?
C25 C20 C19 N1 -1.3(4) . . . . ?
C17 C12 C10 C8 -61.3(4) . . . . ?
C17 C12 C10 C11 120.8(3) . . . . ?
C17 C12 C13 C14 0.0(4) . . . . ?
C13 C12 C10 C8 121.1(3) . . . . ?
C13 C12 C10 C11 -56.9(3) . . . . ?
C13 C12 C17 C16 0.6(4) . . . . ?
C5 C6 C7 O2 -0.1(4) . . . . ?
C5 C6 C7 C8 -179.9(2) . . . . ?
C5 C4 C3 C2 -0.3(5) . . . . ?
C2 C1 C6 C7 177.2(2) . . . . ?
C2 C1 C6 C5 -2.1(4) . . . . ?
C14 C15 C16 C17 0.6(5) . . . . ?
C26 O4 C22 C21 178.3(2) . . . . ?
C26 O4 C22 C23 -1.3(4) . . . . ?
C16 C15 C14 C13 0.0(5) . . . . ?
C18 C15 C14 C13 179.7(3) . . . . ?
C18 C15 C16 C17 -179.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
