# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1939793'
loop_
_audit_author_name
_audit_author_address
'Hoseop Yun'
;Ajou University
South Korea
;
#Added by publCIF



_audit_update_record             
;
2019-07-11 deposited with the CCDC.	2020-06-29 downloaded from the CCDC.
;


_symmetry_space_group_name_hall  'C -2yc'
#Added by publCIF




_diffrn_radiation_monochromator  graphite
# publcif _publ_body_element loop end

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H25 N2 O S, C7 H4 F3 O3 S'

_chemical_formula_sum            'C29 H29 F3 N2 O4 S2'
_chemical_formula_weight         590.66

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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

_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.
;

loop_
_space_group_symop_operation_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'

_cell_length_a                   20.576(2)
_cell_length_b                   10.2610(10)
_cell_length_c                   13.0032(13)
_cell_angle_alpha                90
_cell_angle_beta                 100.020(3)
_cell_angle_gamma                90
_cell_volume                     2703.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(1)
_cell_measurement_reflns_used    7408
_cell_measurement_theta_min      3.18
_cell_measurement_theta_max      27.42

_exptl_crystal_description       Needle
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_F_000             1232
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    0.257
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_absorpt_correction_T_min  0.8178
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(1)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Sealed X-ray tube'
_diffrn_measurement_device_type  'Rigaku R-axis Rapid S'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11418
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.182
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.241
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_point_group_measured_fraction_full 0.891
_reflns_number_total             4700
_reflns_number_gt                3374
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.773
_reflns_Friedel_fraction_max     0.773
_reflns_Friedel_fraction_full    0.784

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0811P)²+4.9918P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1183 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         4700
_refine_ls_number_parameters     361
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1700
_refine_ls_wR_factor_gt          0.1304
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.000
_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_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 0.16471(10) 0.13314(17) 0.07962(15) 0.0279(4) Uani 1 1 d . . . . .
O1 O -0.2821(4) 0.1125(7) 0.7465(6) 0.065(2) Uani 1 1 d . . . . .
H1 H -0.301550 0.116034 0.796459 0.098 Uiso 1 1 calc R U . . .
N1 N -0.0828(3) 0.0493(6) 0.5626(5) 0.0301(15) Uani 1 1 d . . . . .
N2 N 0.1628(4) -0.1140(6) 0.0693(5) 0.0271(14) Uani 1 1 d . . . . .
C1 C -0.2271(5) 0.0254(8) 0.7701(7) 0.039(2) Uani 1 1 d . . . . .
H1A H -0.242344 -0.061106 0.784482 0.047 Uiso 1 1 calc R U . . .
H1B H -0.197091 0.055651 0.831321 0.047 Uiso 1 1 calc R U . . .
C2 C -0.1923(5) 0.0214(8) 0.6768(8) 0.043(2) Uani 1 1 d . . . . .
H2 H -0.224028 -0.006475 0.615643 0.052 Uiso 1 1 calc R U . . .
C3 C -0.1650(5) 0.1545(8) 0.6537(8) 0.050(3) Uani 1 1 d . . . . .
H3A H -0.132046 0.182066 0.712360 0.060 Uiso 1 1 calc R U . . .
H3B H -0.200327 0.218318 0.643938 0.060 Uiso 1 1 calc R U . . .
C4 C -0.1335(6) 0.1468(9) 0.5536(8) 0.053(3) Uani 1 1 d . . . . .
H4A H -0.167486 0.126681 0.494191 0.064 Uiso 1 1 calc R U . . .
H4B H -0.114800 0.230913 0.541138 0.064 Uiso 1 1 calc R U . . .
C5 C -0.1363(5) -0.0694(9) 0.6915(9) 0.056(3) Uani 1 1 d . . . . .
H5A H -0.151775 -0.155110 0.707636 0.067 Uiso 1 1 calc R U . . .
H5B H -0.104116 -0.041011 0.750753 0.067 Uiso 1 1 calc R U . . .
C6 C -0.1023(4) -0.0800(8) 0.5946(7) 0.035(2) Uani 1 1 d . . . . .
H6A H -0.063607 -0.135160 0.610892 0.043 Uiso 1 1 calc R U . . .
H6B H -0.132361 -0.119895 0.537550 0.043 Uiso 1 1 calc R U . . .
C7 C -0.0409(4) 0.0547(7) 0.4898(6) 0.0281(17) Uani 1 1 d . . . . .
C8 C -0.0205(4) 0.1727(7) 0.4518(6) 0.0279(17) Uani 1 1 d . . . . .
H8 H -0.034739 0.250614 0.476971 0.034 Uiso 1 1 calc R U . . .
C9 C 0.0199(4) 0.1764(7) 0.3779(6) 0.0262(16) Uani 1 1 d . . . . .
H9 H 0.032308 0.256808 0.354635 0.031 Uiso 1 1 calc R U . . .
C10 C -0.0145(4) -0.0596(8) 0.4521(7) 0.0337(19) Uani 1 1 d . . . . .
H10 H -0.024325 -0.139949 0.478763 0.040 Uiso 1 1 calc R U . . .
C11 C 0.0250(4) -0.0557(7) 0.3778(6) 0.0300(18) Uani 1 1 d . . . . .
H11 H 0.040224 -0.133445 0.353887 0.036 Uiso 1 1 calc R U . . .
C12 C 0.0432(4) 0.0623(7) 0.3367(6) 0.0260(17) Uani 1 1 d . . . . .
C13 C 0.0822(4) 0.0700(7) 0.2548(6) 0.0254(16) Uani 1 1 d . . . . .
H13 H 0.092773 0.152990 0.234347 0.030 Uiso 1 1 calc R U . . .
C14 C 0.1048(4) -0.0316(7) 0.2048(5) 0.0250(16) Uani 1 1 d . . . . .
H14 H 0.096378 -0.115711 0.225549 0.030 Uiso 1 1 calc R U . . .
C15 C 0.1408(4) -0.0153(7) 0.1221(6) 0.0256(16) Uani 1 1 d . . . . .
C16 C 0.2025(4) 0.0577(7) -0.0132(6) 0.0261(16) Uani 1 1 d . . . . .
C17 C 0.2374(4) 0.1157(8) -0.0859(6) 0.0293(18) Uani 1 1 d . . . . .
H17 H 0.241882 0.205736 -0.088941 0.035 Uiso 1 1 calc R U . . .
C18 C 0.2647(4) 0.0349(9) -0.1525(6) 0.0341(19) Uani 1 1 d . . . . .
H18 H 0.288338 0.070974 -0.200339 0.041 Uiso 1 1 calc R U . . .
C19 C 0.2572(4) -0.0998(8) -0.1485(7) 0.0342(18) Uani 1 1 d . . . . .
H19 H 0.274842 -0.152015 -0.195211 0.041 Uiso 1 1 calc R U . . .
C20 C 0.2240(4) -0.1576(8) -0.0767(6) 0.0272(17) Uani 1 1 d . . . . .
H20 H 0.219379 -0.247639 -0.074185 0.033 Uiso 1 1 calc R U . . .
C21 C 0.1979(4) -0.0772(7) -0.0089(6) 0.0266(16) Uani 1 1 d . . . . .
C22 C 0.1518(5) -0.2538(7) 0.0908(7) 0.038(2) Uani 1 1 d . . . . .
H22A H 0.171708 -0.306918 0.044024 0.057 Uiso 1 1 calc R U . . .
H22B H 0.171411 -0.273618 0.161603 0.057 Uiso 1 1 calc R U . . .
H22C H 0.105311 -0.271060 0.080783 0.057 Uiso 1 1 calc R U . . .
S2 S 0.12250(11) -0.42684(18) 0.39921(15) 0.0290(5) Uani 1 1 d . . . . .
F1 F -0.0851(2) -0.3803(5) 0.7403(4) 0.0423(12) Uani 1 1 d . . . . .
F2 F -0.1103(3) -0.5664(5) 0.6759(5) 0.0647(18) Uani 1 1 d . . . . .
F3 F -0.1553(3) -0.3930(7) 0.6009(4) 0.0588(16) Uani 1 1 d . . . . .
O2 O 0.1040(3) -0.3358(5) 0.3140(4) 0.0369(14) Uani 1 1 d . . . . .
O3 O 0.1229(3) -0.5617(5) 0.3638(4) 0.0308(13) Uani 1 1 d . . . . .
O4 O 0.1827(3) -0.3918(6) 0.4698(5) 0.0386(14) Uani 1 1 d . . . . .
C23 C -0.0446(4) -0.4332(7) 0.5861(6) 0.0254(16) Uani 1 1 d . . . . .
C24 C -0.0585(4) -0.4212(8) 0.4782(6) 0.0300(17) Uani 1 1 d . . . . .
H24 H -0.101961 -0.416596 0.443562 0.036 Uiso 1 1 calc R U . . .
C25 C -0.0071(4) -0.4161(7) 0.4232(6) 0.0322(19) Uani 1 1 d . . . . .
H25 H -0.016062 -0.407327 0.350953 0.039 Uiso 1 1 calc R U . . .
C26 C 0.0203(4) -0.4400(7) 0.6380(6) 0.0296(18) Uani 1 1 d . . . . .
H26 H 0.029322 -0.448141 0.710337 0.036 Uiso 1 1 calc R U . . .
C27 C 0.0714(4) -0.4347(7) 0.5816(6) 0.0278(17) Uani 1 1 d . . . . .
H27 H 0.115015 -0.438234 0.615921 0.033 Uiso 1 1 calc R U . . .
C28 C 0.0573(4) -0.4239(7) 0.4737(6) 0.0229(15) Uani 1 1 d . . . . .
C29 C -0.0985(4) -0.4431(8) 0.6493(7) 0.0332(19) Uani 1 1 d . . . . .


_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 C15 1.721(8) . ?
S1 C16 1.729(8) . ?
O1 C1 1.433(12) . ?
O1 H1 0.8200 . ?
N1 C7 1.388(10) . ?
N1 C4 1.435(11) . ?
N1 C6 1.468(10) . ?
N2 C15 1.345(10) . ?
N2 C21 1.397(10) . ?
N2 C22 1.486(9) . ?
C1 C2 1.513(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C5 1.468(13) . ?
C2 C3 1.527(11) . ?
C2 H2 0.9800 . ?
C3 C4 1.554(13) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.547(12) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.400(10) . ?
C7 C10 1.415(11) . ?
C8 C9 1.377(10) . ?
C8 H8 0.9300 . ?
C9 C12 1.405(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.368(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.400(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.442(10) . ?
C13 C14 1.353(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.417(10) . ?
C14 H14 0.9300 . ?
C16 C21 1.390(10) . ?
C16 C17 1.413(11) . ?
C17 C18 1.388(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.392(12) . ?
C18 H18 0.9300 . ?
C19 C20 1.382(12) . ?
C19 H19 0.9300 . ?
C20 C21 1.383(11) . ?
C20 H20 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
S2 O2 1.449(6) . ?
S2 O4 1.452(6) . ?
S2 O3 1.459(5) . ?
S2 C28 1.787(8) . ?
F1 C29 1.333(10) . ?
F2 C29 1.344(9) . ?
F3 C29 1.331(10) . ?
C23 C24 1.387(11) . ?
C23 C26 1.389(11) . ?
C23 C29 1.494(11) . ?
C24 C25 1.377(12) . ?
C24 H24 0.9300 . ?
C25 C28 1.375(11) . ?
C25 H25 0.9300 . ?
C26 C27 1.384(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.387(11) . ?
C27 H27 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
C15 S1 C16 90.9(4) . . ?
C1 O1 H1 109.5 . . ?
C7 N1 C4 116.5(7) . . ?
C7 N1 C6 117.5(6) . . ?
C4 N1 C6 115.0(7) . . ?
C15 N2 C21 115.5(6) . . ?
C15 N2 C22 123.7(7) . . ?
C21 N2 C22 120.8(6) . . ?
O1 C1 C2 108.2(7) . . ?
O1 C1 H1A 110.1 . . ?
C2 C1 H1A 110.1 . . ?
O1 C1 H1B 110.1 . . ?
C2 C1 H1B 110.1 . . ?
H1A C1 H1B 108.4 . . ?
C5 C2 C1 112.6(8) . . ?
C5 C2 C3 106.7(8) . . ?
C1 C2 C3 112.0(7) . . ?
C5 C2 H2 108.5 . . ?
C1 C2 H2 108.5 . . ?
C3 C2 H2 108.5 . . ?
C2 C3 C4 109.9(7) . . ?
C2 C3 H3A 109.7 . . ?
C4 C3 H3A 109.7 . . ?
C2 C3 H3B 109.7 . . ?
C4 C3 H3B 109.7 . . ?
H3A C3 H3B 108.2 . . ?
N1 C4 C3 111.7(8) . . ?
N1 C4 H4A 109.3 . . ?
C3 C4 H4A 109.3 . . ?
N1 C4 H4B 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 107.9 . . ?
C2 C5 C6 113.2(8) . . ?
C2 C5 H5A 108.9 . . ?
C6 C5 H5A 108.9 . . ?
C2 C5 H5B 108.9 . . ?
C6 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
N1 C6 C5 110.6(6) . . ?
N1 C6 H6A 109.5 . . ?
C5 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
N1 C7 C8 122.3(7) . . ?
N1 C7 C10 121.7(7) . . ?
C8 C7 C10 116.0(7) . . ?
C9 C8 C7 121.6(7) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C12 122.1(7) . . ?
C8 C9 H9 119.0 . . ?
C12 C9 H9 119.0 . . ?
C11 C10 C7 122.1(7) . . ?
C11 C10 H10 118.9 . . ?
C7 C10 H10 118.9 . . ?
C10 C11 C12 121.8(7) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C11 C12 C9 116.3(7) . . ?
C11 C12 C13 123.3(7) . . ?
C9 C12 C13 120.4(7) . . ?
C14 C13 C12 126.5(7) . . ?
C14 C13 H13 116.7 . . ?
C12 C13 H13 116.7 . . ?
C13 C14 C15 122.9(7) . . ?
C13 C14 H14 118.5 . . ?
C15 C14 H14 118.5 . . ?
N2 C15 C14 124.4(7) . . ?
N2 C15 S1 111.2(6) . . ?
C14 C15 S1 124.3(6) . . ?
C21 C16 C17 119.6(7) . . ?
C21 C16 S1 112.0(6) . . ?
C17 C16 S1 128.4(6) . . ?
C18 C17 C16 118.3(8) . . ?
C18 C17 H17 120.9 . . ?
C16 C17 H17 120.9 . . ?
C17 C18 C19 120.6(8) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 121.5(8) . . ?
C20 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
C19 C20 C21 117.9(8) . . ?
C19 C20 H20 121.1 . . ?
C21 C20 H20 121.1 . . ?
C20 C21 C16 122.1(8) . . ?
C20 C21 N2 127.6(7) . . ?
C16 C21 N2 110.3(7) . . ?
N2 C22 H22A 109.5 . . ?
N2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O2 S2 O4 113.9(4) . . ?
O2 S2 O3 112.7(3) . . ?
O4 S2 O3 112.5(3) . . ?
O2 S2 C28 106.4(3) . . ?
O4 S2 C28 106.9(4) . . ?
O3 S2 C28 103.5(3) . . ?
C24 C23 C26 120.5(7) . . ?
C24 C23 C29 121.3(7) . . ?
C26 C23 C29 118.2(7) . . ?
C25 C24 C23 119.1(7) . . ?
C25 C24 H24 120.4 . . ?
C23 C24 H24 120.4 . . ?
C28 C25 C24 120.9(7) . . ?
C28 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C27 C26 C23 119.7(7) . . ?
C27 C26 H26 120.1 . . ?
C23 C26 H26 120.1 . . ?
C26 C27 C28 119.6(7) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C25 C28 C27 120.2(7) . . ?
C25 C28 S2 119.6(6) . . ?
C27 C28 S2 120.1(6) . . ?
F3 C29 F1 105.1(7) . . ?
F3 C29 F2 107.6(7) . . ?
F1 C29 F2 104.2(7) . . ?
F3 C29 C23 112.9(7) . . ?
F1 C29 C23 113.4(7) . . ?
F2 C29 C23 113.0(6) . . ?

_refine_diff_density_max         0.751
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.101





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