# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_mm_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2298985'
loop_
_audit_author_name
_audit_author_address
'Manmath Mishra'
;IIT GUWAHATI
India
;
_audit_update_record             
;
2023-10-03 deposited with the CCDC.	2024-02-09 downloaded from the CCDC.
;
_audit_creation_date             2023-09-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6725)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H26 O5 S'
_chemical_formula_sum            'C24 H26 O5 S'
_chemical_formula_weight         426.51
_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                   10.416(4)
_cell_length_b                   19.090(8)
_cell_length_c                   11.659(5)
_cell_angle_alpha                90
_cell_angle_beta                 113.372(13)
_cell_angle_gamma                90
_cell_volume                     2128.2(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5870
_cell_measurement_temperature    137.00
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.185
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6950
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1142 before and 0.0587 after correction.
The Ratio of minimum to maximum transmission is 0.9323.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            52329
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.105
_diffrn_reflns_theta_min         2.134
_diffrn_ambient_temperature      137.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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                4194
_reflns_number_total             4663
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.131
_refine_diff_density_min         -0.980
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         4663
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0633
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1161P)²+2.5829P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1866
_refine_ls_wR_factor_ref         0.1949
_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 Ternary CH refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C16(H16)
2.b Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C11(H11), C22(H22), C23(H23), C24(H24)
2.d Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C)
;
_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
S1 S 0.05478(7) 0.25775(4) 0.47830(6) 0.0402(2) Uani 1 1 d . . . . .
O1 O 0.34124(14) 0.40447(8) 0.41748(13) 0.0205(3) Uani 1 1 d . . . . .
O2 O 0.70067(16) 0.34386(9) 0.78574(15) 0.0298(4) Uani 1 1 d . . . . .
O3 O 0.65352(16) 0.39339(8) 0.53422(15) 0.0242(3) Uani 1 1 d . . . . .
O4 O 0.56219(19) 0.42998(10) 0.80152(17) 0.0388(4) Uani 1 1 d . . . . .
O5 O 0.55917(17) 0.28625(8) 0.47945(15) 0.0273(4) Uani 1 1 d . . . . .
C1 C -0.0285(2) 0.47164(11) 0.27394(19) 0.0229(4) Uani 1 1 d . . . . .
C2 C -0.1471(2) 0.42954(13) 0.2398(2) 0.0288(5) Uani 1 1 d . . . . .
H2 H -0.141119 0.385202 0.278611 0.035 Uiso 1 1 calc R U . . .
C3 C -0.2744(3) 0.45173(16) 0.1495(2) 0.0386(6) Uani 1 1 d . . . . .
H3 H -0.354899 0.422845 0.127785 0.046 Uiso 1 1 calc R U . . .
C4 C -0.2838(3) 0.51600(17) 0.0911(2) 0.0420(7) Uani 1 1 d . . . . .
H4 H -0.370493 0.531042 0.029051 0.050 Uiso 1 1 calc R U . . .
C5 C -0.1672(3) 0.55787(15) 0.1232(2) 0.0378(6) Uani 1 1 d . . . . .
H5 H -0.173593 0.601616 0.082449 0.045 Uiso 1 1 calc R U . . .
C6 C -0.0396(3) 0.53667(12) 0.2152(2) 0.0294(5) Uani 1 1 d . . . . .
H6 H 0.039825 0.566386 0.237896 0.035 Uiso 1 1 calc R U . . .
C7 C 0.1080(2) 0.44787(10) 0.36941(19) 0.0196(4) Uani 1 1 d . . . . .
C8 C 0.2341(2) 0.44916(10) 0.33493(18) 0.0188(4) Uani 1 1 d . . . . .
H8 H 0.270629 0.498138 0.342760 0.023 Uiso 1 1 calc R U . . .
C9 C 0.3820(2) 0.41941(10) 0.54689(18) 0.0188(4) Uani 1 1 d . . . . .
H9 H 0.426349 0.466697 0.568967 0.023 Uiso 1 1 calc R U . . .
C10 C 0.2599(2) 0.41111(11) 0.58852(19) 0.0220(4) Uani 1 1 d . . . . .
H10 H 0.273684 0.446758 0.655215 0.026 Uiso 1 1 calc R U . . .
C11 C 0.1218(2) 0.42680(10) 0.48342(19) 0.0211(4) Uani 1 1 d . . . . .
H11 H 0.039306 0.421451 0.498763 0.025 Uiso 1 1 calc R U . . .
C12 C 0.2056(2) 0.42170(11) 0.20429(19) 0.0236(4) Uani 1 1 d . . . . .
H12A H 0.137078 0.452867 0.141957 0.028 Uiso 1 1 calc R U . . .
H12B H 0.293424 0.423380 0.190528 0.028 Uiso 1 1 calc R U . . .
C13 C 0.1495(3) 0.34719(13) 0.1832(2) 0.0325(5) Uani 1 1 d . . . . .
H13A H 0.141749 0.330852 0.101008 0.049 Uiso 1 1 calc R U . . .
H13B H 0.057086 0.346133 0.186732 0.049 Uiso 1 1 calc R U . . .
H13C H 0.213518 0.316551 0.248211 0.049 Uiso 1 1 calc R U . . .
C14 C 0.4870(2) 0.36038(10) 0.61300(18) 0.0185(4) Uani 1 1 d . . . . .
C15 C 0.3914(2) 0.30072(11) 0.6198(2) 0.0222(4) Uani 1 1 d . . . . .
H15A H 0.349211 0.276014 0.538719 0.027 Uiso 1 1 calc R U . . .
H15B H 0.444326 0.266520 0.685390 0.027 Uiso 1 1 calc R U . . .
C16 C 0.2786(2) 0.33707(11) 0.65191(19) 0.0227(4) Uani 1 1 d . . . . .
H16 H 0.319711 0.345047 0.744252 0.027 Uiso 1 1 calc R U . . .
C17 C 0.5857(2) 0.38367(11) 0.74358(19) 0.0216(4) Uani 1 1 d . . . . .
C18 C 0.8031(2) 0.36122(14) 0.9094(2) 0.0330(5) Uani 1 1 d . . . . .
H18A H 0.886936 0.332438 0.928204 0.049 Uiso 1 1 calc R U . . .
H18B H 0.763488 0.352082 0.971380 0.049 Uiso 1 1 calc R U . . .
H18C H 0.828076 0.410863 0.911982 0.049 Uiso 1 1 calc R U . . .
C19 C 0.5692(2) 0.34038(11) 0.53476(19) 0.0206(4) Uani 1 1 d . . . . .
C20 C 0.7318(3) 0.38337(14) 0.4576(3) 0.0357(6) Uani 1 1 d . . . . .
H20A H 0.779100 0.427147 0.453742 0.054 Uiso 1 1 calc R U . . .
H20B H 0.668039 0.369718 0.373119 0.054 Uiso 1 1 calc R U . . .
H20C H 0.801608 0.346430 0.493856 0.054 Uiso 1 1 calc R U . . .
C21 C 0.1506(2) 0.29213(12) 0.6231(2) 0.0257(4) Uani 1 1 d . . . . .
C22 C -0.0526(3) 0.21292(15) 0.5310(3) 0.0435(7) Uani 1 1 d . . . . .
H22 H -0.127475 0.184062 0.479199 0.052 Uiso 1 1 calc R U . . .
C23 C -0.0204(3) 0.22266(16) 0.6537(3) 0.0430(6) Uani 1 1 d . . . . .
H23 H -0.071544 0.201391 0.696137 0.052 Uiso 1 1 calc R U . . .
C24 C 0.1008(2) 0.26906(11) 0.7171(2) 0.0253(5) Uani 1 1 d . . . . .
H24 H 0.138958 0.281483 0.803047 0.030 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 C21 1.714(2) . ?
S1 C22 1.705(3) . ?
O1 C8 1.431(2) . ?
O1 C9 1.425(2) . ?
O2 C17 1.336(3) . ?
O2 C18 1.451(3) . ?
O3 C19 1.342(2) . ?
O3 C20 1.442(3) . ?
O4 C17 1.196(3) . ?
O5 C19 1.200(3) . ?
C1 C2 1.393(3) . ?
C1 C6 1.400(3) . ?
C1 C7 1.487(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.376(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.519(3) . ?
C7 C11 1.341(3) . ?
C8 H8 1.0000 . ?
C8 C12 1.525(3) . ?
C9 H9 1.0000 . ?
C9 C10 1.539(3) . ?
C9 C14 1.546(3) . ?
C10 H10 1.0000 . ?
C10 C11 1.504(3) . ?
C10 C16 1.571(3) . ?
C11 H11 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.520(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.536(3) . ?
C14 C17 1.527(3) . ?
C14 C19 1.526(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.533(3) . ?
C16 H16 1.0000 . ?
C16 C21 1.507(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C24 1.455(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.346(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.478(3) . ?
C24 H24 0.9500 . ?

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
C22 S1 C21 92.66(13) . . ?
C9 O1 C8 114.74(15) . . ?
C17 O2 C18 115.72(18) . . ?
C19 O3 C20 115.81(17) . . ?
C2 C1 C6 118.7(2) . . ?
C2 C1 C7 120.9(2) . . ?
C6 C1 C7 120.36(19) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.7(2) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.1(2) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.6(2) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.1(2) . . ?
C5 C6 H6 120.0 . . ?
C1 C7 C8 117.87(17) . . ?
C11 C7 C1 121.91(18) . . ?
C11 C7 C8 120.21(18) . . ?
O1 C8 C7 109.76(16) . . ?
O1 C8 H8 109.2 . . ?
O1 C8 C12 104.94(16) . . ?
C7 C8 H8 109.2 . . ?
C7 C8 C12 114.39(17) . . ?
C12 C8 H8 109.2 . . ?
O1 C9 H9 111.5 . . ?
O1 C9 C10 112.13(16) . . ?
O1 C9 C14 103.71(15) . . ?
C10 C9 H9 111.5 . . ?
C10 C9 C14 106.11(16) . . ?
C14 C9 H9 111.5 . . ?
C9 C10 H10 107.1 . . ?
C9 C10 C16 106.09(16) . . ?
C11 C10 C9 111.45(17) . . ?
C11 C10 H10 107.1 . . ?
C11 C10 C16 117.55(17) . . ?
C16 C10 H10 107.1 . . ?
C7 C11 C10 124.01(18) . . ?
C7 C11 H11 118.0 . . ?
C10 C11 H11 118.0 . . ?
C8 C12 H12A 108.9 . . ?
C8 C12 H12B 108.9 . . ?
H12A C12 H12B 107.8 . . ?
C13 C12 C8 113.17(18) . . ?
C13 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C9 102.78(16) . . ?
C17 C14 C9 110.38(16) . . ?
C17 C14 C15 111.00(16) . . ?
C19 C14 C9 109.74(16) . . ?
C19 C14 C15 111.98(16) . . ?
C19 C14 C17 110.70(16) . . ?
C14 C15 H15A 110.8 . . ?
C14 C15 H15B 110.8 . . ?
H15A C15 H15B 108.9 . . ?
C16 C15 C14 104.63(16) . . ?
C16 C15 H15A 110.8 . . ?
C16 C15 H15B 110.8 . . ?
C10 C16 H16 106.8 . . ?
C15 C16 C10 104.86(16) . . ?
C15 C16 H16 106.8 . . ?
C21 C16 C10 118.26(17) . . ?
C21 C16 C15 112.57(18) . . ?
C21 C16 H16 106.8 . . ?
O2 C17 C14 110.60(17) . . ?
O4 C17 O2 124.6(2) . . ?
O4 C17 C14 124.81(19) . . ?
O2 C18 H18A 109.5 . . ?
O2 C18 H18B 109.5 . . ?
O2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O3 C19 C14 109.72(17) . . ?
O5 C19 O3 124.35(19) . . ?
O5 C19 C14 125.91(18) . . ?
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 . . ?
C16 C21 S1 123.77(16) . . ?
C24 C21 S1 112.54(16) . . ?
C24 C21 C16 123.55(19) . . ?
S1 C22 H22 123.5 . . ?
C23 C22 S1 113.0(2) . . ?
C23 C22 H22 123.5 . . ?
C22 C23 H23 122.7 . . ?
C22 C23 C24 114.7(2) . . ?
C24 C23 H23 122.7 . . ?
C21 C24 C23 107.1(2) . . ?
C21 C24 H24 126.5 . . ?
C23 C24 H24 126.5 . . ?

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
S1 C21 C24 C23 -0.5(3) . . . . ?
S1 C22 C23 C24 -0.6(3) . . . . ?
O1 C8 C12 C13 63.0(2) . . . . ?
O1 C9 C10 C11 -29.8(2) . . . . ?
O1 C9 C10 C16 99.25(18) . . . . ?
O1 C9 C14 C15 -85.57(17) . . . . ?
O1 C9 C14 C17 155.98(15) . . . . ?
O1 C9 C14 C19 33.7(2) . . . . ?
C1 C2 C3 C4 0.9(4) . . . . ?
C1 C7 C8 O1 -160.98(17) . . . . ?
C1 C7 C8 C12 -43.4(2) . . . . ?
C1 C7 C11 C10 -171.84(19) . . . . ?
C2 C1 C6 C5 -0.8(3) . . . . ?
C2 C1 C7 C8 126.9(2) . . . . ?
C2 C1 C7 C11 -54.1(3) . . . . ?
C2 C3 C4 C5 -0.4(4) . . . . ?
C3 C4 C5 C6 -0.7(4) . . . . ?
C4 C5 C6 C1 1.3(4) . . . . ?
C6 C1 C2 C3 -0.3(3) . . . . ?
C6 C1 C7 C8 -52.1(3) . . . . ?
C6 C1 C7 C11 126.9(2) . . . . ?
C7 C1 C2 C3 -179.4(2) . . . . ?
C7 C1 C6 C5 178.3(2) . . . . ?
C7 C8 C12 C13 -57.3(2) . . . . ?
C8 O1 C9 C10 61.1(2) . . . . ?
C8 O1 C9 C14 175.20(14) . . . . ?
C8 C7 C11 C10 7.1(3) . . . . ?
C9 O1 C8 C7 -54.8(2) . . . . ?
C9 O1 C8 C12 -178.17(15) . . . . ?
C9 C10 C11 C7 -2.3(3) . . . . ?
C9 C10 C16 C15 -11.3(2) . . . . ?
C9 C10 C16 C21 -137.68(19) . . . . ?
C9 C14 C15 C16 -39.99(19) . . . . ?
C9 C14 C17 O2 -160.79(16) . . . . ?
C9 C14 C17 O4 20.9(3) . . . . ?
C9 C14 C19 O3 68.1(2) . . . . ?
C9 C14 C19 O5 -110.6(2) . . . . ?
C10 C9 C14 C15 32.73(19) . . . . ?
C10 C9 C14 C17 -85.71(19) . . . . ?
C10 C9 C14 C19 152.01(16) . . . . ?
C10 C16 C21 S1 66.1(2) . . . . ?
C10 C16 C21 C24 -118.5(2) . . . . ?
C11 C7 C8 O1 20.0(3) . . . . ?
C11 C7 C8 C12 137.6(2) . . . . ?
C11 C10 C16 C15 114.15(19) . . . . ?
C11 C10 C16 C21 -12.2(3) . . . . ?
C14 C9 C10 C11 -142.41(17) . . . . ?
C14 C9 C10 C16 -13.3(2) . . . . ?
C14 C15 C16 C10 31.8(2) . . . . ?
C14 C15 C16 C21 161.69(17) . . . . ?
C15 C14 C17 O2 85.9(2) . . . . ?
C15 C14 C17 O4 -92.4(3) . . . . ?
C15 C14 C19 O3 -178.47(16) . . . . ?
C15 C14 C19 O5 2.9(3) . . . . ?
C15 C16 C21 S1 -56.5(2) . . . . ?
C15 C16 C21 C24 118.9(2) . . . . ?
C16 C10 C11 C7 -125.1(2) . . . . ?
C16 C21 C24 C23 -176.3(2) . . . . ?
C17 C14 C15 C16 78.0(2) . . . . ?
C17 C14 C19 O3 -54.0(2) . . . . ?
C17 C14 C19 O5 127.4(2) . . . . ?
C18 O2 C17 O4 -1.9(3) . . . . ?
C18 O2 C17 C14 179.77(18) . . . . ?
C19 C14 C15 C16 -157.70(16) . . . . ?
C19 C14 C17 O2 -39.1(2) . . . . ?
C19 C14 C17 O4 142.6(2) . . . . ?
C20 O3 C19 O5 2.1(3) . . . . ?
C20 O3 C19 C14 -176.51(18) . . . . ?
C21 S1 C22 C23 0.2(2) . . . . ?
C22 S1 C21 C16 176.0(2) . . . . ?
C22 S1 C21 C24 0.1(2) . . . . ?
C22 C23 C24 C21 0.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
