# Supplementary Information (SI) for Chemical Communications.
# 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_mo_kn_sk_dfm_53_2
_database_code_depnum_ccdc_archive 'CCDC 2380891'
loop_
_audit_author_name
_audit_author_address
'Kishore Natte'
;IIT Hyderabad
India
;
_audit_update_record             
;
2024-08-30 deposited with the CCDC.	2024-10-18 downloaded from the CCDC.
;
_audit_creation_date             2024-08-29
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H14 F2 O5 S2'
_chemical_formula_sum            'C19 H14 F2 O5 S2'
_chemical_formula_weight         424.42
_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'
F F 0.0171 0.0103 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.2477(2)
_cell_length_b                   9.2848(3)
_cell_length_c                   14.6674(4)
_cell_angle_alpha                99.9870(10)
_cell_angle_beta                 97.5440(10)
_cell_angle_gamma                105.3410(10)
_cell_volume                     920.97(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8849
_cell_measurement_temperature    298
_cell_measurement_theta_max      27.022
_cell_measurement_theta_min      2.330
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.338
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6192
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1285 before and 0.0555 after correction.
The Ratio of minimum to maximum transmission is 0.8306.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.455
_exptl_crystal_size_mid          0.176
_exptl_crystal_size_min          0.061
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0330
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21103
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.212
_diffrn_reflns_theta_min         2.330
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-IV Photon II'
_diffrn_measurement_method       ?
_diffrn_oxdiff_ac3_digest_hkl    41d81ba910ff5454bc6dc2ad74c45837e9406d
_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
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3312
_reflns_number_total             4075
_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-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.836
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4075
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0526
_refine_ls_restrained_S_all      1.048
_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)+(0.0522P)²+1.0762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1285
_refine_ls_wR_factor_ref         0.1374
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 O3-C19 \\sim O3-C19A
 with sigma of 0.02
 F1-C19 \\sim F1A-C19A
 with sigma of 0.02
 F2-C19 \\sim F2A-C19A
 with sigma of 0.02
 O3-F1 \\sim O3-F1A
 with sigma of 0.04
 O3-F2 \\sim O3-F2A
 with sigma of 0.04
 F1-F2 \\sim F1A-F2A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
F1 \\sim C19 \\sim F2: within 2A with sigma of 0.0001 and sigma for terminal
atoms of 0.0002 within 2A
F1A \\sim C19A \\sim F2A: within 2A with sigma of 0.0001 and sigma for terminal
atoms of 0.0002 within 2A
Uanis(F1) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(F2) \\sim Ueq: with sigma of
0.0001 and sigma for terminal atoms of 0.0002
Uanis(F1A) \\sim Ueq, Uanis(C19A) \\sim Ueq, Uanis(F2A) \\sim Ueq: with sigma
of 0.0001 and sigma for terminal atoms of 0.0002
4. Others
 Sof(F1A)=Sof(F2A)=Sof(C19A)=Sof(H19A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(C19)=Sof(H00S)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C19(H00S), C19A(H19A)
5.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C8(H8), C18(H18), C5(H5), C1(H1), C9(H9), C4(H4), C14(H14),
 C17(H17), C3(H3), C16(H16), C15(H15), C2(H2)
;
_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
S2 S 0.86194(9) 0.68675(8) 0.33063(5) 0.03755(18) Uani 1 1 d . . . . .
S1 S 0.27085(9) 0.36021(8) 0.04181(4) 0.03728(18) Uani 1 1 d . . . . .
O1 O 0.1704(3) 0.4091(2) -0.03275(13) 0.0493(5) Uani 1 1 d . . . . .
O5 O 0.9237(3) 0.5638(3) 0.28442(14) 0.0501(5) Uani 1 1 d . . . . .
O2 O 0.4244(3) 0.2948(2) 0.02452(15) 0.0518(5) Uani 1 1 d . . . . .
O3 O 0.6107(3) 0.8945(2) 0.35894(16) 0.0571(6) Uani 1 1 d D . . . .
O4 O 0.9825(3) 0.8408(2) 0.34137(15) 0.0532(5) Uani 1 1 d . . . . .
F1 F 0.5110(10) 1.0810(5) 0.3076(3) 0.0700(8) Uani 0.693(17) 1 d D U P A 1
F2 F 0.6210(10) 1.0982(5) 0.4561(3) 0.0701(8) Uani 0.693(17) 1 d D U P A 1
C12 C 0.5492(4) 0.5400(3) 0.19135(17) 0.0342(5) Uani 1 1 d . . . . .
H12 H 0.617148 0.469170 0.177846 0.041 Uiso 1 1 calc R U . . .
C13 C 0.8217(4) 0.6548(3) 0.44226(18) 0.0360(5) Uani 1 1 d . . . . .
C11 C 0.6276(3) 0.6660(3) 0.26535(17) 0.0328(5) Uani 1 1 d . . . . .
C6 C 0.0945(4) 0.2293(3) 0.08336(17) 0.0365(5) Uani 1 1 d . . . . .
C7 C 0.3687(4) 0.5203(3) 0.13759(17) 0.0342(5) Uani 1 1 d . . . . .
C10 C 0.5247(4) 0.7720(3) 0.28458(19) 0.0385(6) Uani 1 1 d . . . . .
C8 C 0.2660(4) 0.6237(3) 0.1569(2) 0.0438(6) Uani 1 1 d . . . . .
H8 H 0.144593 0.608756 0.120537 0.053 Uiso 1 1 calc R U . . .
C18 C 0.7592(4) 0.5072(3) 0.4541(2) 0.0464(7) Uani 1 1 d . . . . .
H18 H 0.731959 0.424884 0.403131 0.056 Uiso 1 1 calc R U . . .
C5 C 0.1409(5) 0.1098(3) 0.1155(2) 0.0475(7) Uani 1 1 d . . . . .
H5 H 0.266025 0.100476 0.118410 0.057 Uiso 1 1 calc R U . . .
C1 C -0.0900(4) 0.2460(4) 0.0797(2) 0.0530(8) Uani 1 1 d . . . . .
H1 H -0.119701 0.327377 0.058433 0.064 Uiso 1 1 calc R U . . .
C9 C 0.3438(4) 0.7494(3) 0.2303(2) 0.0467(7) Uani 1 1 d . . . . .
H9 H 0.274662 0.819446 0.243487 0.056 Uiso 1 1 calc R U . . .
C4 C -0.0015(5) 0.0044(4) 0.1432(2) 0.0578(8) Uani 1 1 d . . . . .
H4 H 0.027463 -0.077236 0.164489 0.069 Uiso 1 1 calc R U . . .
C14 C 0.8609(5) 0.7780(4) 0.5176(2) 0.0551(8) Uani 1 1 d . . . . .
H14 H 0.901336 0.877750 0.509084 0.066 Uiso 1 1 calc R U . . .
C17 C 0.7374(5) 0.4830(4) 0.5430(3) 0.0583(8) Uani 1 1 d . . . . .
H17 H 0.694497 0.383654 0.551863 0.070 Uiso 1 1 calc R U . . .
C3 C -0.1844(6) 0.0190(4) 0.1398(2) 0.0605(9) Uani 1 1 d . . . . .
H3 H -0.279270 -0.052533 0.158840 0.073 Uiso 1 1 calc R U . . .
C16 C 0.7787(5) 0.6043(5) 0.6181(2) 0.0626(9) Uani 1 1 d . . . . .
H16 H 0.765435 0.587063 0.677846 0.075 Uiso 1 1 calc R U . . .
C15 C 0.8389(6) 0.7499(5) 0.6055(2) 0.0668(10) Uani 1 1 d . . . . .
H15 H 0.865708 0.831615 0.656740 0.080 Uiso 1 1 calc R U . . .
C2 C -0.2295(5) 0.1388(4) 0.1082(3) 0.0675(10) Uani 1 1 d . . . . .
H2 H -0.354616 0.147907 0.106121 0.081 Uiso 1 1 calc R U . . .
C19 C 0.5163(11) 1.0034(7) 0.3748(5) 0.0700(8) Uani 0.693(17) 1 d D U P A 1
H00S H 0.383611 0.955793 0.383208 0.084 Uiso 0.693(17) 1 calc R U P A 1
F1A F 0.582(3) 1.1005(13) 0.3137(7) 0.0854(13) Uani 0.307(17) 1 d D U P A 2
F2A F 0.691(3) 1.1133(12) 0.4499(7) 0.0855(13) Uani 0.307(17) 1 d D U P A 2
C19A C 0.544(3) 1.0163(17) 0.3764(12) 0.0854(13) Uani 0.307(17) 1 d D U P A 2
H19A H 0.411005 0.995251 0.389504 0.103 Uiso 0.307(17) 1 calc R U P A 2


_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 O5 1.430(2) . ?
S2 O4 1.435(2) . ?
S2 C13 1.761(3) . ?
S2 C11 1.782(2) . ?
S1 O1 1.438(2) . ?
S1 O2 1.432(2) . ?
S1 C6 1.767(3) . ?
S1 C7 1.772(3) . ?
O3 C10 1.374(3) . ?
O3 C19 1.367(7) . ?
O3 C19A 1.343(14) . ?
F1 C19 1.320(7) . ?
F2 C19 1.349(7) . ?
C12 H12 0.9300 . ?
C12 C11 1.384(4) . ?
C12 C7 1.386(3) . ?
C13 C18 1.374(4) . ?
C13 C14 1.384(4) . ?
C11 C10 1.397(4) . ?
C6 C5 1.380(4) . ?
C6 C1 1.381(4) . ?
C7 C8 1.377(4) . ?
C10 C9 1.386(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.377(4) . ?
C18 H18 0.9300 . ?
C18 C17 1.383(4) . ?
C5 H5 0.9300 . ?
C5 C4 1.379(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.382(4) . ?
C9 H9 0.9300 . ?
C4 H4 0.9300 . ?
C4 C3 1.363(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.380(5) . ?
C17 H17 0.9300 . ?
C17 C16 1.370(5) . ?
C3 H3 0.9300 . ?
C3 C2 1.375(5) . ?
C16 H16 0.9300 . ?
C16 C15 1.359(5) . ?
C15 H15 0.9300 . ?
C2 H2 0.9300 . ?
C19 H00S 0.9800 . ?
F1A C19A 1.317(15) . ?
F2A C19A 1.403(15) . ?
C19A H19A 0.9800 . ?

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
O5 S2 O4 118.74(14) . . ?
O5 S2 C13 108.22(12) . . ?
O5 S2 C11 105.68(12) . . ?
O4 S2 C13 108.98(13) . . ?
O4 S2 C11 109.08(12) . . ?
C13 S2 C11 105.33(12) . . ?
O1 S1 C6 107.68(12) . . ?
O1 S1 C7 107.57(12) . . ?
O2 S1 O1 119.62(13) . . ?
O2 S1 C6 108.63(13) . . ?
O2 S1 C7 107.45(12) . . ?
C6 S1 C7 104.95(12) . . ?
C19 O3 C10 117.2(3) . . ?
C19A O3 C10 123.1(7) . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C7 119.4(2) . . ?
C7 C12 H12 120.3 . . ?
C18 C13 S2 119.3(2) . . ?
C18 C13 C14 120.9(3) . . ?
C14 C13 S2 119.8(2) . . ?
C12 C11 S2 117.27(18) . . ?
C12 C11 C10 119.8(2) . . ?
C10 C11 S2 122.9(2) . . ?
C5 C6 S1 119.7(2) . . ?
C5 C6 C1 121.3(3) . . ?
C1 C6 S1 118.9(2) . . ?
C12 C7 S1 119.2(2) . . ?
C8 C7 S1 119.8(2) . . ?
C8 C7 C12 121.0(2) . . ?
O3 C10 C11 116.9(2) . . ?
O3 C10 C9 123.3(2) . . ?
C9 C10 C11 119.9(2) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.8(2) . . ?
C9 C8 H8 120.1 . . ?
C13 C18 H18 120.5 . . ?
C13 C18 C17 118.9(3) . . ?
C17 C18 H18 120.5 . . ?
C6 C5 H5 120.6 . . ?
C4 C5 C6 118.9(3) . . ?
C4 C5 H5 120.6 . . ?
C6 C1 H1 120.8 . . ?
C6 C1 C2 118.5(3) . . ?
C2 C1 H1 120.8 . . ?
C10 C9 H9 119.9 . . ?
C8 C9 C10 120.2(3) . . ?
C8 C9 H9 119.9 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.5(3) . . ?
C3 C4 H4 119.7 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.7(3) . . ?
C15 C14 H14 120.7 . . ?
C18 C17 H17 119.8 . . ?
C16 C17 C18 120.5(3) . . ?
C16 C17 H17 119.8 . . ?
C4 C3 H3 119.8 . . ?
C4 C3 C2 120.3(3) . . ?
C2 C3 H3 119.8 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 C17 120.1(3) . . ?
C15 C16 H16 120.0 . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.9(3) . . ?
C16 C15 H15 119.6 . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.5(3) . . ?
C3 C2 H2 119.8 . . ?
O3 C19 H00S 109.8 . . ?
F1 C19 O3 113.6(6) . . ?
F1 C19 F2 109.7(5) . . ?
F1 C19 H00S 109.8 . . ?
F2 C19 O3 103.9(5) . . ?
F2 C19 H00S 109.8 . . ?
O3 C19A F2A 100.7(11) . . ?
O3 C19A H19A 115.8 . . ?
F1A C19A O3 110.1(14) . . ?
F1A C19A F2A 95.9(13) . . ?
F1A C19A H19A 115.8 . . ?
F2A C19A H19A 115.8 . . ?

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 C13 C18 C17 176.7(2) . . . . ?
S2 C13 C14 C15 -176.3(3) . . . . ?
S2 C11 C10 O3 -1.5(3) . . . . ?
S2 C11 C10 C9 179.3(2) . . . . ?
S1 C6 C5 C4 -176.8(2) . . . . ?
S1 C6 C1 C2 177.0(3) . . . . ?
S1 C7 C8 C9 -178.9(2) . . . . ?
O1 S1 C6 C5 146.7(2) . . . . ?
O1 S1 C6 C1 -30.9(3) . . . . ?
O1 S1 C7 C12 -143.0(2) . . . . ?
O1 S1 C7 C8 36.4(2) . . . . ?
O5 S2 C13 C18 -31.2(2) . . . . ?
O5 S2 C13 C14 146.2(2) . . . . ?
O5 S2 C11 C12 3.5(2) . . . . ?
O5 S2 C11 C10 -175.1(2) . . . . ?
O2 S1 C6 C5 15.8(3) . . . . ?
O2 S1 C6 C1 -161.8(2) . . . . ?
O2 S1 C7 C12 -12.9(2) . . . . ?
O2 S1 C7 C8 166.4(2) . . . . ?
O3 C10 C9 C8 -179.8(3) . . . . ?
O4 S2 C13 C18 -161.6(2) . . . . ?
O4 S2 C13 C14 15.7(3) . . . . ?
O4 S2 C11 C12 132.2(2) . . . . ?
O4 S2 C11 C10 -46.3(2) . . . . ?
C12 C11 C10 O3 -180.0(2) . . . . ?
C12 C11 C10 C9 0.8(4) . . . . ?
C12 C7 C8 C9 0.4(4) . . . . ?
C13 S2 C11 C12 -111.0(2) . . . . ?
C13 S2 C11 C10 70.5(2) . . . . ?
C13 C18 C17 C16 -0.4(5) . . . . ?
C13 C14 C15 C16 -0.4(6) . . . . ?
C11 S2 C13 C18 81.5(2) . . . . ?
C11 S2 C13 C14 -101.2(2) . . . . ?
C11 C12 C7 S1 179.04(18) . . . . ?
C11 C12 C7 C8 -0.3(4) . . . . ?
C11 C10 C9 C8 -0.7(4) . . . . ?
C6 S1 C7 C12 102.6(2) . . . . ?
C6 S1 C7 C8 -78.1(2) . . . . ?
C6 C5 C4 C3 -0.6(5) . . . . ?
C6 C1 C2 C3 0.2(6) . . . . ?
C7 S1 C6 C5 -98.9(2) . . . . ?
C7 S1 C6 C1 83.5(3) . . . . ?
C7 C12 C11 S2 -178.97(19) . . . . ?
C7 C12 C11 C10 -0.4(4) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
C10 O3 C19 F1 -67.2(6) . . . . ?
C10 O3 C19 F2 173.6(4) . . . . ?
C10 O3 C19A F1A -72.7(14) . . . . ?
C10 O3 C19A F2A -173.1(7) . . . . ?
C18 C13 C14 C15 1.0(5) . . . . ?
C18 C17 C16 C15 0.9(5) . . . . ?
C5 C6 C1 C2 -0.6(5) . . . . ?
C5 C4 C3 C2 0.2(6) . . . . ?
C1 C6 C5 C4 0.8(4) . . . . ?
C4 C3 C2 C1 0.0(6) . . . . ?
C14 C13 C18 C17 -0.6(4) . . . . ?
C17 C16 C15 C14 -0.5(6) . . . . ?
C19 O3 C10 C11 176.3(4) . . . . ?
C19 O3 C10 C9 -4.5(5) . . . . ?
C19A O3 C10 C11 169.5(10) . . . . ?
C19A O3 C10 C9 -11.4(11) . . . . ?

_olex2_exptl_crystal_mounting_method 'Nylon loop used'
_olex2_submission_special_instructions 'No special instructions were received'
