# Electronic Supplementary Material (ESI) for Materials Advances.
# 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. 
# 
#######################################################################

data_uch130_1ar_hexane_100K
_audit_block_doi                 10.5517/ccdc.csd.cc27ptqh
_database_code_depnum_ccdc_archive 'CCDC 2076557'
loop_
_audit_author_name
_audit_author_address
'Yuma Nakagawa'
;Ryukoku University
Japan
;
_audit_update_record             
;
2021-04-10 deposited with the CCDC.	2022-07-20 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C23 H10 F6 N2 S2'
_chemical_formula_iupac          ?
_chemical_formula_weight         492.45

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_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                   7.5038(2)
_cell_length_b                   14.3528(5)
_cell_length_c                   19.3127(7)
_cell_angle_alpha                77.5284(14)
_cell_angle_beta                 83.8844(13)
_cell_angle_gamma                80.5922(13)
_cell_volume                     1998.11(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1132
_cell_measurement_theta_min      2.9175
_cell_measurement_theta_max      26.6088
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.488
_exptl_crystal_size_mid          0.071
_exptl_crystal_size_min          0.042
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             992

_exptl_absorpt_coefficient_mu    0.337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.95
_exptl_absorpt_correction_T_max  0.99

_exptl_special_details           
;
 The crystal was prepared by recrystallization from hexane.
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   ?
_diffrn_source_type              ?

_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean 7.3910

_diffrn_reflns_number            117181
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_theta_min         2.17
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_full        25.20
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23

_refine_special_details          
;
;

_reflns_number_total             7146
_reflns_number_gt                6123
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0277
_refine_ls_wR_factor_gt          0.0690
_refine_ls_wR_factor_ref         0.0713
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_refine_ls_number_reflns         7146
_refine_ls_number_parameters     595
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0363P)²+0.7363P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.507
_refine_diff_density_min         -0.370
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
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'

_computing_data_collection       ?
_computing_cell_refinement       'APEX3 v2015.9-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.35A (Bruker AXS Inc., 2015)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.6377(2) 0.32500(11) 0.88644(8) 0.0133(3) Uani d . . . 1 . .
C C2 0.6486(2) 0.41592(11) 0.90079(8) 0.0126(3) Uani d . . . 1 . .
C C3 0.5556(2) 0.46443(11) 0.79265(8) 0.0145(3) Uani d . . . 1 . .
C C4 0.4883(2) 0.53005(12) 0.72813(8) 0.0168(3) Uani d . . . 1 . .
C C5 0.4391(2) 0.62785(12) 0.72859(9) 0.0186(4) Uani d . . . 1 . .
H H5 0.4537 0.6518 0.7695 0.022 Uiso calc U . R 1 . .
C C6 0.3686(2) 0.69047(13) 0.66907(9) 0.0225(4) Uani d . . . 1 . .
H H6 0.3353 0.7572 0.6693 0.027 Uiso calc U . R 1 . .
C C7 0.3471(2) 0.65567(14) 0.60952(10) 0.0282(4) Uani d . . . 1 . .
H H7 0.2981 0.6985 0.5691 0.034 Uiso calc U . R 1 . .
C C8 0.3968(3) 0.55844(14) 0.60860(10) 0.0318(4) Uani d . . . 1 . .
H H8 0.3826 0.5348 0.5675 0.038 Uiso calc U . R 1 . .
C C9 0.4670(3) 0.49600(13) 0.66775(9) 0.0255(4) Uani d . . . 1 . .
H H9 0.5009 0.4294 0.6671 0.031 Uiso calc U . R 1 . .
C C10 0.7453(2) 0.33622(11) 1.01800(8) 0.0130(3) Uani d . . . 1 . .
C C11 0.7058(2) 0.42136(11) 0.96718(8) 0.0123(3) Uani d . . . 1 . .
C C12 0.7868(2) 0.48465(11) 1.05106(8) 0.0131(3) Uani d . . . 1 . .
C C13 0.8293(2) 0.55773(11) 1.08732(8) 0.0137(3) Uani d . . . 1 . .
C C14 0.8084(2) 0.65434(11) 1.05301(9) 0.0166(3) Uani d . . . 1 . .
H H14 0.7657 0.6726 1.0067 0.02 Uiso calc U . R 1 . .
C C15 0.8496(2) 0.72400(12) 1.08613(9) 0.0193(4) Uani d . . . 1 . .
H H15 0.8351 0.7898 1.0625 0.023 Uiso calc U . R 1 . .
C C16 0.9121(2) 0.69750(12) 1.15379(9) 0.0193(4) Uani d . . . 1 . .
H H16 0.9408 0.7452 1.1763 0.023 Uiso calc U . R 1 . .
C C17 0.9327(2) 0.60159(12) 1.18851(9) 0.0194(4) Uani d . . . 1 . .
H H17 0.9751 0.5836 1.2349 0.023 Uiso calc U . R 1 . .
C C18 0.8913(2) 0.53170(12) 1.15526(9) 0.0165(3) Uani d . . . 1 . .
H H18 0.9054 0.466 1.179 0.02 Uiso calc U . R 1 . .
C C19 0.6795(2) 0.24085(11) 0.93756(8) 0.0135(3) Uani d . . . 1 . .
C C20 0.6828(2) 0.13820(12) 0.93260(9) 0.0172(3) Uani d . . . 1 . .
C C21 0.6879(2) 0.08340(11) 1.01079(9) 0.0166(3) Uani d . . . 1 . .
C C22 0.7720(2) 0.14884(11) 1.04833(8) 0.0158(3) Uani d . . . 1 . .
C C23 0.7312(2) 0.24638(11) 1.00294(8) 0.0136(3) Uani d . . . 1 . .
C C24 0.9555(2) 0.90153(11) 0.36257(8) 0.0143(3) Uani d . . . 1 . .
C C25 0.8907(2) 0.97790(11) 0.39788(8) 0.0138(3) Uani d . . . 1 . .
C C26 1.0091(2) 1.06166(11) 0.29923(8) 0.0143(3) Uani d . . . 1 . .
C C27 1.0801(2) 1.14267(11) 0.24979(8) 0.0147(3) Uani d . . . 1 . .
C C28 1.0787(2) 1.22888(11) 0.27246(9) 0.0157(3) Uani d . . . 1 . .
H H28 1.0214 1.237 0.3175 0.019 Uiso calc U . R 1 . .
C C29 1.1612(2) 1.30248(12) 0.22913(9) 0.0183(4) Uani d . . . 1 . .
H H29 1.1617 1.3607 0.2449 0.022 Uiso calc U . R 1 . .
C C30 1.2433(2) 1.29183(12) 0.16274(9) 0.0208(4) Uani d . . . 1 . .
H H30 1.3003 1.3423 0.1333 0.025 Uiso calc U . R 1 . .
C C31 1.2414(2) 1.20697(12) 0.13978(9) 0.0202(4) Uani d . . . 1 . .
H H31 1.2956 1.1998 0.0941 0.024 Uiso calc U . R 1 . .
C C32 1.1608(2) 1.13236(11) 0.18305(8) 0.0172(3) Uani d . . . 1 . .
H H32 1.1607 1.0742 0.1671 0.021 Uiso calc U . R 1 . .
C C33 0.7842(2) 0.86135(11) 0.49867(8) 0.0143(3) Uani d . . . 1 . .
C C34 0.8029(2) 0.95748(11) 0.46711(8) 0.0136(3) Uani d . . . 1 . .
C C35 0.6602(2) 0.98181(11) 0.56868(8) 0.0140(3) Uani d . . . 1 . .
C C36 0.5765(2) 1.03269(12) 0.62489(8) 0.0149(3) Uani d . . . 1 . .
C C37 0.5626(2) 1.13294(12) 0.61274(9) 0.0174(3) Uani d . . . 1 . .
H H37 0.6034 1.1678 0.5678 0.021 Uiso calc U . R 1 . .
C C38 0.4892(2) 1.18173(12) 0.66615(9) 0.0202(4) Uani d . . . 1 . .
H H38 0.4795 1.25 0.6577 0.024 Uiso calc U . R 1 . .
C C39 0.4298(2) 1.13123(13) 0.73200(9) 0.0210(4) Uani d . . . 1 . .
H H39 0.3806 1.1649 0.7686 0.025 Uiso calc U . R 1 . .
C C40 0.4424(2) 1.03192(12) 0.74435(9) 0.0200(4) Uani d . . . 1 . .
H H40 0.4015 0.9975 0.7894 0.024 Uiso calc U . R 1 . .
C C41 0.5146(2) 0.98237(12) 0.69115(8) 0.0173(3) Uani d . . . 1 . .
H H41 0.522 0.9142 0.6997 0.021 Uiso calc U . R 1 . .
C C42 0.9388(2) 0.80608(11) 0.39589(8) 0.0147(3) Uani d . . . 1 . .
C C43 1.0050(2) 0.71572(12) 0.36950(9) 0.0170(3) Uani d . . . 1 . .
C C44 0.9971(2) 0.63565(12) 0.43724(9) 0.0199(4) Uani d . . . 1 . .
C C45 0.8533(2) 0.68056(12) 0.48851(9) 0.0197(4) Uani d . . . 1 . .
C C46 0.8543(2) 0.78621(11) 0.46348(8) 0.0154(3) Uani d . . . 1 . .
F F1 0.83389(13) 0.10443(7) 0.89432(5) 0.0243(2) Uani d . . . 1 . .
F F2 0.54008(14) 0.12282(7) 0.90134(5) 0.0248(2) Uani d . . . 1 . .
F F3 0.77803(13) -0.00640(6) 1.01858(5) 0.0228(2) Uani d . . . 1 . .
F F4 0.51585(13) 0.07764(7) 1.03879(5) 0.0220(2) Uani d . . . 1 . .
F F5 0.95306(12) 0.11825(7) 1.05081(5) 0.0215(2) Uani d . . . 1 . .
F F6 0.70452(13) 0.14279(7) 1.11701(5) 0.0222(2) Uani d . . . 1 . .
F F7 1.17357(13) 0.71244(7) 0.33648(6) 0.0274(2) Uani d . . . 1 . .
F F8 0.89693(14) 0.69982(7) 0.32209(5) 0.0244(2) Uani d . . . 1 . .
F F9 1.15987(14) 0.61776(8) 0.46528(5) 0.0317(3) Uani d . . . 1 . .
F F10 0.96160(16) 0.55289(7) 0.42433(5) 0.0304(3) Uani d . . . 1 . .
F F11 0.89031(16) 0.64816(7) 0.55739(5) 0.0311(3) Uani d . . . 1 . .
F F12 0.69044(14) 0.65383(7) 0.48219(6) 0.0287(2) Uani d . . . 1 . .
N N1 0.60112(17) 0.49335(9) 0.84695(7) 0.0143(3) Uani d . . . 1 . .
N N2 0.72984(17) 0.50473(9) 0.98717(7) 0.0132(3) Uani d . . . 1 . .
N N3 0.92349(18) 1.06773(9) 0.36101(7) 0.0146(3) Uani d . . . 1 . .
N N4 0.73247(17) 1.02434(9) 0.50795(7) 0.0145(3) Uani d . . . 1 . .
S S1 0.56762(5) 0.33909(3) 0.80225(2) 0.01542(10) Uani d . . . 1 . .
S S2 0.81519(5) 0.36246(3) 1.09270(2) 0.01448(9) Uani d . . . 1 . .
S S3 1.05597(5) 0.94535(3) 0.28008(2) 0.01523(10) Uani d . . . 1 . .
S S4 0.67089(5) 0.85645(3) 0.58139(2) 0.01573(10) Uani d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C19 . 1.400(2) ?
C1 C2 . 1.408(2) ?
C1 S1 . 1.7226(16) ?
C2 N1 . 1.376(2) ?
C2 C11 . 1.416(2) ?
C3 N1 . 1.303(2) ?
C3 C4 . 1.472(2) ?
C3 S1 . 1.7565(16) ?
C4 C9 . 1.391(2) ?
C4 C5 . 1.394(2) ?
C5 C6 . 1.392(2) ?
C6 C7 . 1.383(3) ?
C7 C8 . 1.388(3) ?
C8 C9 . 1.385(3) ?
C10 C11 . 1.404(2) ?
C10 C23 . 1.404(2) ?
C10 S2 . 1.7200(16) ?
C11 N2 . 1.378(2) ?
C12 N2 . 1.306(2) ?
C12 C13 . 1.472(2) ?
C12 S2 . 1.7530(16) ?
C13 C18 . 1.393(2) ?
C13 C14 . 1.393(2) ?
C14 C15 . 1.387(2) ?
C15 C16 . 1.389(2) ?
C16 C17 . 1.387(2) ?
C17 C18 . 1.392(2) ?
C19 C23 . 1.382(2) ?
C19 C20 . 1.493(2) ?
C20 F2 . 1.3536(18) ?
C20 F1 . 1.3652(19) ?
C20 C21 . 1.546(2) ?
C21 F3 . 1.3395(18) ?
C21 F4 . 1.3538(18) ?
C21 C22 . 1.547(2) ?
C22 F6 . 1.3583(18) ?
C22 F5 . 1.3602(18) ?
C22 C23 . 1.486(2) ?
C24 C42 . 1.402(2) ?
C24 C25 . 1.407(2) ?
C24 S3 . 1.7228(16) ?
C25 N3 . 1.378(2) ?
C25 C34 . 1.419(2) ?
C26 N3 . 1.307(2) ?
C26 C27 . 1.470(2) ?
C26 S3 . 1.7591(16) ?
C27 C32 . 1.392(2) ?
C27 C28 . 1.397(2) ?
C28 C29 . 1.386(2) ?
C29 C30 . 1.390(2) ?
C30 C31 . 1.386(2) ?
C31 C32 . 1.389(2) ?
C33 C46 . 1.399(2) ?
C33 C34 . 1.406(2) ?
C33 S4 . 1.7209(16) ?
C34 N4 . 1.376(2) ?
C35 N4 . 1.306(2) ?
C35 C36 . 1.467(2) ?
C35 S4 . 1.7522(16) ?
C36 C37 . 1.395(2) ?
C36 C41 . 1.400(2) ?
C37 C38 . 1.387(2) ?
C38 C39 . 1.388(2) ?
C39 C40 . 1.383(2) ?
C40 C41 . 1.388(2) ?
C42 C46 . 1.382(2) ?
C42 C43 . 1.486(2) ?
C43 F7 . 1.3527(19) ?
C43 F8 . 1.3630(19) ?
C43 C44 . 1.547(2) ?
C44 F10 . 1.3378(19) ?
C44 F9 . 1.352(2) ?
C44 C45 . 1.543(2) ?
C45 F11 . 1.3537(19) ?
C45 F12 . 1.364(2) ?
C45 C46 . 1.490(2) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C19 C1 C2 . . 120.58(14) ?
C19 C1 S1 . . 129.78(12) ?
C2 C1 S1 . . 109.63(12) ?
N1 C2 C1 . . 115.23(14) ?
N1 C2 C11 . . 125.51(14) ?
C1 C2 C11 . . 119.26(14) ?
N1 C3 C4 . . 123.91(14) ?
N1 C3 S1 . . 115.62(12) ?
C4 C3 S1 . . 120.40(12) ?
C9 C4 C5 . . 119.47(15) ?
C9 C4 C3 . . 121.42(15) ?
C5 C4 C3 . . 119.08(15) ?
C6 C5 C4 . . 119.97(16) ?
C7 C6 C5 . . 120.04(17) ?
C6 C7 C8 . . 120.26(16) ?
C9 C8 C7 . . 119.81(17) ?
C8 C9 C4 . . 120.46(17) ?
C11 C10 C23 . . 120.52(14) ?
C11 C10 S2 . . 109.96(11) ?
C23 C10 S2 . . 129.48(12) ?
N2 C11 C10 . . 115.26(14) ?
N2 C11 C2 . . 125.47(14) ?
C10 C11 C2 . . 119.27(14) ?
N2 C12 C13 . . 123.67(14) ?
N2 C12 S2 . . 115.98(11) ?
C13 C12 S2 . . 120.34(12) ?
C18 C13 C14 . . 119.45(14) ?
C18 C13 C12 . . 120.99(14) ?
C14 C13 C12 . . 119.55(14) ?
C15 C14 C13 . . 120.29(15) ?
C14 C15 C16 . . 119.97(16) ?
C17 C16 C15 . . 120.20(15) ?
C16 C17 C18 . . 119.81(16) ?
C17 C18 C13 . . 120.28(15) ?
C23 C19 C1 . . 120.12(14) ?
C23 C19 C20 . . 110.59(14) ?
C1 C19 C20 . . 129.26(14) ?
F2 C20 F1 . . 105.93(12) ?
F2 C20 C19 . . 113.93(13) ?
F1 C20 C19 . . 112.18(13) ?
F2 C20 C21 . . 112.10(13) ?
F1 C20 C21 . . 109.18(13) ?
C19 C20 C21 . . 103.58(13) ?
F3 C21 F4 . . 107.90(12) ?
F3 C21 C20 . . 113.80(13) ?
F4 C21 C20 . . 108.76(13) ?
F3 C21 C22 . . 113.09(13) ?
F4 C21 C22 . . 108.78(13) ?
C20 C21 C22 . . 104.36(12) ?
F6 C22 F5 . . 105.92(12) ?
F6 C22 C23 . . 113.94(13) ?
F5 C22 C23 . . 112.41(13) ?
F6 C22 C21 . . 111.77(13) ?
F5 C22 C21 . . 109.21(12) ?
C23 C22 C21 . . 103.64(13) ?
C19 C23 C10 . . 120.23(14) ?
C19 C23 C22 . . 111.14(13) ?
C10 C23 C22 . . 128.59(14) ?
C42 C24 C25 . . 120.70(14) ?
C42 C24 S3 . . 129.36(13) ?
C25 C24 S3 . . 109.91(11) ?
N3 C25 C24 . . 115.19(14) ?
N3 C25 C34 . . 125.66(14) ?
C24 C25 C34 . . 119.13(14) ?
N3 C26 C27 . . 124.21(14) ?
N3 C26 S3 . . 115.77(12) ?
C27 C26 S3 . . 119.78(12) ?
C32 C27 C28 . . 119.58(15) ?
C32 C27 C26 . . 121.05(14) ?
C28 C27 C26 . . 119.18(14) ?
C29 C28 C27 . . 119.86(15) ?
C28 C29 C30 . . 120.54(16) ?
C31 C30 C29 . . 119.49(15) ?
C30 C31 C32 . . 120.46(16) ?
C31 C32 C27 . . 120.05(15) ?
C46 C33 C34 . . 120.93(14) ?
C46 C33 S4 . . 129.28(12) ?
C34 C33 S4 . . 109.79(12) ?
N4 C34 C33 . . 115.28(14) ?
N4 C34 C25 . . 125.71(14) ?
C33 C34 C25 . . 119.01(14) ?
N4 C35 C36 . . 123.82(14) ?
N4 C35 S4 . . 115.96(12) ?
C36 C35 S4 . . 120.21(12) ?
C37 C36 C41 . . 119.32(15) ?
C37 C36 C35 . . 119.41(14) ?
C41 C36 C35 . . 121.25(14) ?
C38 C37 C36 . . 120.06(15) ?
C37 C38 C39 . . 120.29(16) ?
C40 C39 C38 . . 120.00(16) ?
C39 C40 C41 . . 120.21(16) ?
C40 C41 C36 . . 120.11(15) ?
C46 C42 C24 . . 120.10(14) ?
C46 C42 C43 . . 110.82(14) ?
C24 C42 C43 . . 129.06(15) ?
F7 C43 F8 . . 105.72(13) ?
F7 C43 C42 . . 114.21(13) ?
F8 C43 C42 . . 112.94(13) ?
F7 C43 C44 . . 111.51(13) ?
F8 C43 C44 . . 108.74(13) ?
C42 C43 C44 . . 103.74(13) ?
F10 C44 F9 . . 107.84(13) ?
F10 C44 C45 . . 113.75(14) ?
F9 C44 C45 . . 109.21(13) ?
F10 C44 C43 . . 112.96(13) ?
F9 C44 C43 . . 108.50(13) ?
C45 C44 C43 . . 104.43(13) ?
F11 C45 F12 . . 106.45(13) ?
F11 C45 C46 . . 113.58(13) ?
F12 C45 C46 . . 112.34(14) ?
F11 C45 C44 . . 112.25(14) ?
F12 C45 C44 . . 108.73(13) ?
C46 C45 C44 . . 103.52(13) ?
C42 C46 C33 . . 120.08(14) ?
C42 C46 C45 . . 110.91(14) ?
C33 C46 C45 . . 129.01(15) ?
C3 N1 C2 . . 110.63(13) ?
C12 N2 C11 . . 110.14(13) ?
C26 N3 C25 . . 110.43(13) ?
C35 N4 C34 . . 110.21(13) ?
C1 S1 C3 . . 88.89(7) ?
C10 S2 C12 . . 88.66(7) ?
C24 S3 C26 . . 88.69(8) ?
C33 S4 C35 . . 88.74(8) ?

