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

 
data_3b
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_structural
 'CHN(C10H15)SB(C6F5)2'
_chemical_formula_sum
 'C23 H16 B F10 N S' 
_chemical_formula_weight          539.24

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'
 'B'  'B'   0.0013   0.0007
 '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'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            4
_space_group_name_H-M_alt         'P 21'
_space_group_name_Hall            'P 2yb'
 
_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+1/2, -z'
 
_cell_length_a                    10.5637(3)
_cell_length_b                    7.3903(2)
_cell_length_c                    13.8954(4)
_cell_angle_alpha                 90
_cell_angle_beta                  98.8924(11)
_cell_angle_gamma                 90
_cell_volume                      1071.76(5)
_cell_formula_units_Z             2
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     9861
_cell_measurement_theta_min       2.63
_cell_measurement_theta_max       34.88
 
_exptl_crystal_description        'block'
_exptl_crystal_colour             'colourless'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.671          
_exptl_crystal_F_000              544
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.120
_exptl_crystal_size_mid           0.080
_exptl_crystal_size_min           0.050
_exptl_absorpt_coefficient_mu     0.251
_shelx_estimated_absorpt_T_min    0.970
_shelx_estimated_absorpt_T_max    0.988
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.9404
_exptl_absorpt_correction_T_max   1.0000
_exptl_absorpt_process_details    'SADABS-2016/2 (Sheldrick)'
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       100(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    'I\mS microfocus'
_diffrn_measurement_device_type   'Bruker Photon III CPAD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             67044
_diffrn_reflns_av_unetI/netI      0.0268
_diffrn_reflns_av_R_equivalents   0.0448
_diffrn_reflns_limit_h_min        -17
_diffrn_reflns_limit_h_max        17
_diffrn_reflns_limit_k_min        -11
_diffrn_reflns_limit_k_max        11
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        22
_diffrn_reflns_theta_min          2.261
_diffrn_reflns_theta_max          34.968
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   1.000
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    1.000
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   1.000
_diffrn_reflns_point_group_measured_fraction_full  0.999
_reflns_number_total              9414
_reflns_number_gt                 8986
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.882
_reflns_Friedel_fraction_max      1.000
_reflns_Friedel_fraction_full     1.000
 
_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        'Bruker APEX3'
_computing_cell_refinement        'Bruker SAINT V8.38A'
_computing_data_reduction         'Bruker SAINT V8.38A'
_computing_structure_solution     'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0500P)²+0.4000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    difmap
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_abs_structure_details
;
 Flack x determined using 3948 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack    0.022(18)
_chemical_absolute_configuration  ad
_refine_ls_number_reflns          9414
_refine_ls_number_parameters      325
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0399
_refine_ls_R_factor_gt            0.0375
_refine_ls_wR_factor_ref          0.1000
_refine_ls_wR_factor_gt           0.0983
_refine_ls_goodness_of_fit_ref    1.091
_refine_ls_restrained_S_all       1.091
_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 0.20113(4) 0.72463(6) 0.10120(3) 0.01463(8) Uani 1 1 d . . . . .
F1 F 0.21667(12) 0.67642(18) 0.38271(9) 0.0185(2) Uani 1 1 d . . . . .
F2 F 0.38749(15) 0.8480(2) 0.51041(10) 0.0284(3) Uani 1 1 d . . . . .
F3 F 0.63472(14) 0.8853(2) 0.47845(11) 0.0274(3) Uani 1 1 d . . . . .
F4 F 0.70627(11) 0.7428(2) 0.31442(10) 0.0214(2) Uani 1 1 d . . . . .
F5 F 0.53457(12) 0.57683(18) 0.18279(9) 0.0188(2) Uani 1 1 d . . . . .
F6 F 0.47584(12) 0.25601(17) 0.27084(8) 0.0168(2) Uani 1 1 d . . . . .
F7 F 0.56129(12) -0.01555(17) 0.17269(10) 0.0192(2) Uani 1 1 d . . . . .
F8 F 0.44053(13) -0.10653(17) -0.00722(10) 0.0190(2) Uani 1 1 d . . . . .
F9 F 0.23631(12) 0.0937(2) -0.09228(9) 0.0202(2) Uani 1 1 d . . . . .
F10 F 0.15278(11) 0.37121(19) -0.00003(9) 0.0172(2) Uani 1 1 d . . . . .
N1 N 0.12473(13) 0.5010(2) 0.20797(10) 0.0101(2) Uani 1 1 d . . . . .
C1 C 0.07837(17) 0.6336(2) 0.15192(13) 0.0130(3) Uani 1 1 d . . . . .
H1 H -0.008304 0.672875 0.141120 0.016 Uiso 1 1 calc R U . . .
C2 C 0.04946(15) 0.3697(2) 0.25708(12) 0.0096(2) Uani 1 1 d . . . . .
C3 C -0.04795(16) 0.4710(2) 0.30895(13) 0.0119(3) Uani 1 1 d . . . . .
H3A H -0.002478 0.555343 0.357841 0.014 Uiso 1 1 calc R U . . .
H3B H -0.106704 0.542403 0.260994 0.014 Uiso 1 1 calc R U . . .
C4 C -0.12481(17) 0.3335(3) 0.35929(14) 0.0146(3) Uani 1 1 d . . . . .
H4 H -0.187683 0.399094 0.393505 0.018 Uiso 1 1 calc R U . . .
C5 C -0.03343(18) 0.2232(3) 0.43361(12) 0.0156(3) Uani 1 1 d . . . . .
H5A H 0.012573 0.305049 0.483611 0.019 Uiso 1 1 calc R U . . .
H5B H -0.082956 0.135380 0.466629 0.019 Uiso 1 1 calc R U . . .
C6 C 0.06317(18) 0.1224(3) 0.38163(13) 0.0142(3) Uani 1 1 d . . . . .
H6 H 0.122540 0.050579 0.430238 0.017 Uiso 1 1 calc R U . . .
C7 C 0.14096(17) 0.2598(2) 0.33125(13) 0.0131(3) Uani 1 1 d . . . . .
H7A H 0.188456 0.341862 0.380417 0.016 Uiso 1 1 calc R U . . .
H7B H 0.203864 0.195280 0.297834 0.016 Uiso 1 1 calc R U . . .
C8 C -0.02196(16) 0.2410(3) 0.18004(12) 0.0128(3) Uani 1 1 d . . . . .
H8A H 0.040368 0.175782 0.146380 0.015 Uiso 1 1 calc R U . . .
H8B H -0.079706 0.311344 0.130864 0.015 Uiso 1 1 calc R U . . .
C9 C -0.19717(17) 0.2059(3) 0.28237(14) 0.0169(3) Uani 1 1 d . . . . .
H9A H -0.248348 0.118255 0.314108 0.020 Uiso 1 1 calc R U . . .
H9B H -0.256449 0.276665 0.234442 0.020 Uiso 1 1 calc R U . . .
C10 C -0.0089(2) -0.0058(3) 0.30480(15) 0.0168(3) Uani 1 1 d . . . . .
H10A H 0.053092 -0.071937 0.271242 0.020 Uiso 1 1 calc R U . . .
H10B H -0.058131 -0.095534 0.336863 0.020 Uiso 1 1 calc R U . . .
C11 C -0.10054(18) 0.1044(3) 0.23034(14) 0.0156(3) Uani 1 1 d . . . . .
H11 H -0.147462 0.021025 0.180446 0.019 Uiso 1 1 calc R U . . .
C12 C 0.36807(16) 0.6085(2) 0.27776(12) 0.0114(3) Uani 1 1 d . . . . .
C13 C 0.33714(16) 0.6856(2) 0.36237(13) 0.0134(3) Uani 1 1 d . . . . .
C14 C 0.42400(19) 0.7777(3) 0.42990(14) 0.0169(3) Uani 1 1 d . . . . .
C15 C 0.54923(19) 0.7960(3) 0.41447(15) 0.0173(3) Uani 1 1 d . . . . .
C16 C 0.58558(16) 0.7233(3) 0.33112(14) 0.0155(3) Uani 1 1 d . . . . .
C17 C 0.49495(17) 0.6353(2) 0.26474(13) 0.0130(3) Uani 1 1 d . . . . .
C18 C 0.31527(16) 0.3388(2) 0.13865(12) 0.0112(3) Uani 1 1 d . . . . .
C19 C 0.41642(16) 0.2274(3) 0.17928(12) 0.0122(2) Uani 1 1 d . . . . .
C20 C 0.46123(17) 0.0823(2) 0.13089(13) 0.0133(3) Uani 1 1 d . . . . .
C21 C 0.40176(17) 0.0370(2) 0.03833(14) 0.0131(3) Uani 1 1 d . . . . .
C22 C 0.29820(17) 0.1389(3) -0.00400(13) 0.0136(3) Uani 1 1 d . . . . .
C23 C 0.25704(16) 0.2839(3) 0.04607(12) 0.0127(3) Uani 1 1 d . . . . .
B1 B 0.26836(18) 0.5147(3) 0.19252(14) 0.0111(3) 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 C1 1.7068(18) . ?
S1 B1 2.060(2) . ?
F1 C13 1.347(2) . ?
F2 C14 1.343(2) . ?
F3 C15 1.339(2) . ?
F4 C16 1.338(2) . ?
F5 C17 1.344(2) . ?
F6 C19 1.3454(19) . ?
F7 C20 1.337(2) . ?
F8 C21 1.332(2) . ?
F9 C22 1.340(2) . ?
F10 C23 1.350(2) . ?
N1 C1 1.300(2) . ?
N1 C2 1.486(2) . ?
N1 B1 1.568(2) . ?
C1 H1 0.9500 . ?
C2 C7 1.532(2) . ?
C2 C3 1.539(2) . ?
C2 C8 1.539(2) . ?
C3 C4 1.535(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.534(3) . ?
C4 C9 1.537(3) . ?
C4 H4 1.0000 . ?
C5 C6 1.532(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C10 1.538(3) . ?
C6 C7 1.541(3) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C11 1.542(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C11 1.535(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.537(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11 1.0000 . ?
C12 C13 1.390(2) . ?
C12 C17 1.394(2) . ?
C12 B1 1.615(2) . ?
C13 C14 1.386(2) . ?
C14 C15 1.379(3) . ?
C15 C16 1.384(3) . ?
C16 C17 1.385(2) . ?
C18 C19 1.397(2) . ?
C18 C23 1.397(2) . ?
C18 B1 1.616(3) . ?
C19 C20 1.387(3) . ?
C20 C21 1.382(3) . ?
C21 C22 1.382(3) . ?
C22 C23 1.384(3) . ?
 
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
C1 S1 B1 70.15(8) . . ?
C1 N1 C2 126.08(14) . . ?
C1 N1 B1 98.77(14) . . ?
C2 N1 B1 134.65(14) . . ?
N1 C1 S1 107.73(13) . . ?
N1 C1 H1 126.1 . . ?
S1 C1 H1 126.1 . . ?
N1 C2 C7 109.17(13) . . ?
N1 C2 C3 109.98(13) . . ?
C7 C2 C3 109.91(14) . . ?
N1 C2 C8 108.88(13) . . ?
C7 C2 C8 109.31(14) . . ?
C3 C2 C8 109.56(13) . . ?
C4 C3 C2 109.31(14) . . ?
C4 C3 H3A 109.8 . . ?
C2 C3 H3A 109.8 . . ?
C4 C3 H3B 109.8 . . ?
C2 C3 H3B 109.8 . . ?
H3A C3 H3B 108.3 . . ?
C5 C4 C3 109.64(15) . . ?
C5 C4 C9 109.63(16) . . ?
C3 C4 C9 109.29(15) . . ?
C5 C4 H4 109.4 . . ?
C3 C4 H4 109.4 . . ?
C9 C4 H4 109.4 . . ?
C6 C5 C4 109.68(14) . . ?
C6 C5 H5A 109.7 . . ?
C4 C5 H5A 109.7 . . ?
C6 C5 H5B 109.7 . . ?
C4 C5 H5B 109.7 . . ?
H5A C5 H5B 108.2 . . ?
C5 C6 C10 109.42(16) . . ?
C5 C6 C7 109.52(15) . . ?
C10 C6 C7 109.40(15) . . ?
C5 C6 H6 109.5 . . ?
C10 C6 H6 109.5 . . ?
C7 C6 H6 109.5 . . ?
C2 C7 C6 109.25(14) . . ?
C2 C7 H7A 109.8 . . ?
C6 C7 H7A 109.8 . . ?
C2 C7 H7B 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
C2 C8 C11 109.25(13) . . ?
C2 C8 H8A 109.8 . . ?
C11 C8 H8A 109.8 . . ?
C2 C8 H8B 109.8 . . ?
C11 C8 H8B 109.8 . . ?
H8A C8 H8B 108.3 . . ?
C11 C9 C4 109.38(14) . . ?
C11 C9 H9A 109.8 . . ?
C4 C9 H9A 109.8 . . ?
C11 C9 H9B 109.8 . . ?
C4 C9 H9B 109.8 . . ?
H9A C9 H9B 108.2 . . ?
C11 C10 C6 109.50(15) . . ?
C11 C10 H10A 109.8 . . ?
C6 C10 H10A 109.8 . . ?
C11 C10 H10B 109.8 . . ?
C6 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C9 C11 C10 109.72(16) . . ?
C9 C11 C8 109.72(16) . . ?
C10 C11 C8 108.98(15) . . ?
C9 C11 H11 109.5 . . ?
C10 C11 H11 109.5 . . ?
C8 C11 H11 109.5 . . ?
C13 C12 C17 114.07(15) . . ?
C13 C12 B1 125.76(15) . . ?
C17 C12 B1 119.81(15) . . ?
F1 C13 C14 115.52(16) . . ?
F1 C13 C12 120.65(15) . . ?
C14 C13 C12 123.82(16) . . ?
F2 C14 C15 119.85(17) . . ?
F2 C14 C13 120.58(17) . . ?
C15 C14 C13 119.57(17) . . ?
F3 C15 C14 120.64(19) . . ?
F3 C15 C16 120.07(18) . . ?
C14 C15 C16 119.28(17) . . ?
F4 C16 C15 119.89(16) . . ?
F4 C16 C17 120.94(17) . . ?
C15 C16 C17 119.15(16) . . ?
F5 C17 C16 116.21(15) . . ?
F5 C17 C12 119.73(15) . . ?
C16 C17 C12 124.05(16) . . ?
C19 C18 C23 113.68(15) . . ?
C19 C18 B1 123.84(15) . . ?
C23 C18 B1 122.48(15) . . ?
F6 C19 C20 115.81(16) . . ?
F6 C19 C18 120.38(16) . . ?
C20 C19 C18 123.80(15) . . ?
F7 C20 C21 119.22(16) . . ?
F7 C20 C19 120.90(16) . . ?
C21 C20 C19 119.88(16) . . ?
F8 C21 C20 120.41(17) . . ?
F8 C21 C22 120.86(16) . . ?
C20 C21 C22 118.67(16) . . ?
F9 C22 C21 119.71(16) . . ?
F9 C22 C23 120.44(16) . . ?
C21 C22 C23 119.83(16) . . ?
F10 C23 C22 115.36(15) . . ?
F10 C23 C18 120.60(16) . . ?
C22 C23 C18 124.03(16) . . ?
N1 B1 C12 117.55(14) . . ?
N1 B1 C18 112.59(14) . . ?
C12 B1 C18 118.25(14) . . ?
N1 B1 S1 83.34(10) . . ?
C12 B1 S1 104.60(12) . . ?
C18 B1 S1 114.96(12) . . ?
 
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
C2 N1 C1 S1 -172.04(13) . . . . ?
B1 N1 C1 S1 0.80(15) . . . . ?
B1 S1 C1 N1 -0.64(12) . . . . ?
C1 N1 C2 C7 -169.04(16) . . . . ?
B1 N1 C2 C7 20.9(2) . . . . ?
C1 N1 C2 C3 -48.4(2) . . . . ?
B1 N1 C2 C3 141.60(17) . . . . ?
C1 N1 C2 C8 71.7(2) . . . . ?
B1 N1 C2 C8 -98.3(2) . . . . ?
N1 C2 C3 C4 -179.98(14) . . . . ?
C7 C2 C3 C4 -59.76(18) . . . . ?
C8 C2 C3 C4 60.37(17) . . . . ?
C2 C3 C4 C5 59.53(19) . . . . ?
C2 C3 C4 C9 -60.66(18) . . . . ?
C3 C4 C5 C6 -60.0(2) . . . . ?
C9 C4 C5 C6 60.00(19) . . . . ?
C4 C5 C6 C10 -59.95(19) . . . . ?
C4 C5 C6 C7 59.97(19) . . . . ?
N1 C2 C7 C6 -179.50(14) . . . . ?
C3 C2 C7 C6 59.78(18) . . . . ?
C8 C2 C7 C6 -60.50(18) . . . . ?
C5 C6 C7 C2 -59.77(18) . . . . ?
C10 C6 C7 C2 60.15(19) . . . . ?
N1 C2 C8 C11 -179.92(14) . . . . ?
C7 C2 C8 C11 60.90(18) . . . . ?
C3 C2 C8 C11 -59.59(18) . . . . ?
C5 C4 C9 C11 -59.65(19) . . . . ?
C3 C4 C9 C11 60.5(2) . . . . ?
C5 C6 C10 C11 59.77(19) . . . . ?
C7 C6 C10 C11 -60.2(2) . . . . ?
C4 C9 C11 C10 59.64(19) . . . . ?
C4 C9 C11 C8 -60.06(19) . . . . ?
C6 C10 C11 C9 -59.79(19) . . . . ?
C6 C10 C11 C8 60.4(2) . . . . ?
C2 C8 C11 C9 59.54(19) . . . . ?
C2 C8 C11 C10 -60.62(19) . . . . ?
C17 C12 C13 F1 177.51(16) . . . . ?
B1 C12 C13 F1 4.5(3) . . . . ?
C17 C12 C13 C14 -1.5(3) . . . . ?
B1 C12 C13 C14 -174.54(18) . . . . ?
F1 C13 C14 F2 1.3(3) . . . . ?
C12 C13 C14 F2 -179.61(19) . . . . ?
F1 C13 C14 C15 -179.19(18) . . . . ?
C12 C13 C14 C15 -0.1(3) . . . . ?
F2 C14 C15 F3 -0.9(3) . . . . ?
C13 C14 C15 F3 179.63(19) . . . . ?
F2 C14 C15 C16 -179.9(2) . . . . ?
C13 C14 C15 C16 0.6(3) . . . . ?
F3 C15 C16 F4 -0.2(3) . . . . ?
C14 C15 C16 F4 178.83(19) . . . . ?
F3 C15 C16 C17 -178.43(19) . . . . ?
C14 C15 C16 C17 0.6(3) . . . . ?
F4 C16 C17 F5 -1.9(3) . . . . ?
C15 C16 C17 F5 176.35(18) . . . . ?
F4 C16 C17 C12 179.33(18) . . . . ?
C15 C16 C17 C12 -2.4(3) . . . . ?
C13 C12 C17 F5 -175.95(16) . . . . ?
B1 C12 C17 F5 -2.4(3) . . . . ?
C13 C12 C17 C16 2.8(3) . . . . ?
B1 C12 C17 C16 176.29(17) . . . . ?
C23 C18 C19 F6 -175.36(16) . . . . ?
B1 C18 C19 F6 4.5(3) . . . . ?
C23 C18 C19 C20 3.8(3) . . . . ?
B1 C18 C19 C20 -176.30(16) . . . . ?
F6 C19 C20 F7 -3.0(2) . . . . ?
C18 C19 C20 F7 177.79(16) . . . . ?
F6 C19 C20 C21 176.72(16) . . . . ?
C18 C19 C20 C21 -2.5(3) . . . . ?
F7 C20 C21 F8 2.5(3) . . . . ?
C19 C20 C21 F8 -177.20(16) . . . . ?
F7 C20 C21 C22 179.84(16) . . . . ?
C19 C20 C21 C22 0.1(3) . . . . ?
F8 C21 C22 F9 -0.4(3) . . . . ?
C20 C21 C22 F9 -177.71(16) . . . . ?
F8 C21 C22 C23 177.87(16) . . . . ?
C20 C21 C22 C23 0.6(3) . . . . ?
F9 C22 C23 F10 0.3(3) . . . . ?
C21 C22 C23 F10 -177.92(16) . . . . ?
F9 C22 C23 C18 179.32(17) . . . . ?
C21 C22 C23 C18 1.1(3) . . . . ?
C19 C18 C23 F10 175.82(16) . . . . ?
B1 C18 C23 F10 -4.1(3) . . . . ?
C19 C18 C23 C22 -3.1(3) . . . . ?
B1 C18 C23 C22 177.01(17) . . . . ?
C1 N1 B1 C12 102.39(17) . . . . ?
C2 N1 B1 C12 -85.8(2) . . . . ?
C1 N1 B1 C18 -114.94(16) . . . . ?
C2 N1 B1 C18 56.9(2) . . . . ?
C1 N1 B1 S1 -0.64(12) . . . . ?
C2 N1 B1 S1 171.22(17) . . . . ?
C13 C12 B1 N1 -2.9(3) . . . . ?
C17 C12 B1 N1 -175.58(16) . . . . ?
C13 C12 B1 C18 -143.43(18) . . . . ?
C17 C12 B1 C18 43.9(2) . . . . ?
C13 C12 B1 S1 87.16(18) . . . . ?
C17 C12 B1 S1 -85.53(17) . . . . ?
C19 C18 B1 N1 -120.46(17) . . . . ?
C23 C18 B1 N1 59.4(2) . . . . ?
C19 C18 B1 C12 21.9(2) . . . . ?
C23 C18 B1 C12 -158.20(16) . . . . ?
C19 C18 B1 S1 146.38(14) . . . . ?
C23 C18 B1 S1 -33.7(2) . . . . ?
 
_refine_diff_density_max    0.825
_refine_diff_density_min   -0.299
_refine_diff_density_rms    0.071



