# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

 
data_JT050_0m_a
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C41 H21 B F10 O Te' 
_chemical_formula_weight          857.99

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'
 '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'
 'Te'  'Te'  -0.5308   1.6751
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       triclinic
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
 
_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'
 
_cell_length_a                    11.0701(10)
_cell_length_b                    13.0666(11)
_cell_length_c                    13.7393(13)
_cell_angle_alpha                 111.314(4)
_cell_angle_beta                  102.688(4)
_cell_angle_gamma                 98.616(4)
_cell_volume                      1747.6(3)
_cell_formula_units_Z             2
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     9881
_cell_measurement_theta_min       2.26
_cell_measurement_theta_max       27.58
 
_exptl_crystal_description        'PLATES'
_exptl_crystal_colour             'colourless'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.630          
_exptl_crystal_F_000              844
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.100
_exptl_crystal_size_mid           0.100
_exptl_crystal_size_min           0.050
_exptl_absorpt_coefficient_mu     0.938
_shelx_estimated_absorpt_T_min    0.912
_shelx_estimated_absorpt_T_max    0.955
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   0.7021
_exptl_absorpt_correction_T_max   0.7456
_exptl_absorpt_process_details    ?
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       150(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             29454
_diffrn_reflns_av_unetI/netI      0.0256
_diffrn_reflns_av_R_equivalents   0.0242
_diffrn_reflns_limit_h_min        -14
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -17
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -17
_diffrn_reflns_limit_l_max        17
_diffrn_reflns_theta_min          1.666
_diffrn_reflns_theta_max          27.645
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.991
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    0.991
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   0.991
_diffrn_reflns_point_group_measured_fraction_full  0.999
_reflns_number_total              8063
_reflns_number_gt                 7037
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_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-2014/7 (Sheldrick, 2014)'
_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)+(0.0290P)²+1.9181P] 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_number_reflns          8063
_refine_ls_number_parameters      487
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0387
_refine_ls_R_factor_gt            0.0311
_refine_ls_wR_factor_ref          0.0747
_refine_ls_wR_factor_gt           0.0691
_refine_ls_goodness_of_fit_ref    1.051
_refine_ls_restrained_S_all       1.051
_refine_ls_shift/su_max           0.001
_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
Te1 Te 0.73015(2) 0.50804(2) 0.74499(2) 0.02978(6) Uani 1 1 d . . . . .
F10 F 0.47663(14) 0.76007(13) 0.98406(11) 0.0344(3) Uani 1 1 d . . . . .
F1 F 0.38655(15) 0.37289(12) 0.92300(11) 0.0336(3) Uani 1 1 d . . . . .
F5 F 0.32843(15) 0.23172(13) 0.54337(11) 0.0376(3) Uani 1 1 d . . . . .
F6 F 0.45590(16) 0.72249(14) 0.62603(12) 0.0396(4) Uani 1 1 d . . . . .
F9 F 0.36125(16) 0.93083(13) 1.01139(13) 0.0441(4) Uani 1 1 d . . . . .
F4 F 0.15029(16) 0.04961(13) 0.51145(13) 0.0452(4) Uani 1 1 d . . . . .
F2 F 0.20052(16) 0.19372(14) 0.88910(14) 0.0441(4) Uani 1 1 d . . . . .
F7 F 0.34785(17) 0.89870(15) 0.65753(15) 0.0499(4) Uani 1 1 d . . . . .
F3 F 0.08499(16) 0.02974(13) 0.68432(16) 0.0488(4) Uani 1 1 d . . . . .
F8 F 0.29851(18) 1.00225(14) 0.85036(16) 0.0544(5) Uani 1 1 d . . . . .
C30 C 0.4706(2) 0.73530(18) 0.80406(19) 0.0217(4) Uani 1 1 d . . . . .
C11 C 0.3646(2) 0.30783(18) 0.73435(18) 0.0219(4) Uani 1 1 d . . . . .
C4 C 0.6429(2) 0.64267(18) 0.77412(18) 0.0223(4) Uani 1 1 d . . . . .
C36 C 0.7266(2) 0.74859(18) 0.78459(18) 0.0216(4) Uani 1 1 d . . . . .
C3 C 0.5246(2) 0.63331(18) 0.78640(18) 0.0216(4) Uani 1 1 d . . . . .
C16 C 0.3013(2) 0.22327(19) 0.63099(19) 0.0261(5) Uani 1 1 d . . . . .
C35 C 0.4443(2) 0.79139(19) 0.90083(19) 0.0241(5) Uani 1 1 d . . . . .
C12 C 0.3294(2) 0.29368(19) 0.82031(19) 0.0245(5) Uani 1 1 d . . . . .
C37 C 0.7636(2) 0.84547(19) 0.88242(19) 0.0242(5) Uani 1 1 d . . . . .
H37A H 0.7346 0.8436 0.9420 0.029 Uiso 1 1 calc R U . . .
C1 C 0.5762(2) 0.38766(19) 0.73479(19) 0.0250(5) Uani 1 1 d . . . . .
C5 C 0.6048(2) 0.27446(19) 0.7094(2) 0.0258(5) Uani 1 1 d . . . . .
C2 C 0.4645(2) 0.40938(18) 0.75165(18) 0.0232(4) Uani 1 1 d . . . . .
C31 C 0.4360(2) 0.7736(2) 0.72294(19) 0.0259(5) Uani 1 1 d . . . . .
C41 C 0.7698(2) 0.7530(2) 0.6982(2) 0.0272(5) Uani 1 1 d . . . . .
H41A H 0.7456 0.6875 0.6312 0.033 Uiso 1 1 calc R U . . .
C24 C 0.1426(2) 0.5797(2) 0.8597(2) 0.0354(6) Uani 1 1 d . . . . .
C15 C 0.2092(2) 0.12951(19) 0.6132(2) 0.0299(5) Uani 1 1 d . . . . .
C38 C 0.8423(2) 0.9443(2) 0.8933(2) 0.0290(5) Uani 1 1 d . . . . .
H38A H 0.8671 1.0099 0.9603 0.035 Uiso 1 1 calc R U . . .
C13 C 0.2351(2) 0.2018(2) 0.8041(2) 0.0304(5) Uani 1 1 d . . . . .
C14 C 0.1760(2) 0.1193(2) 0.7004(2) 0.0317(5) Uani 1 1 d . . . . .
C26 C 0.0506(2) 0.7384(2) 0.8862(3) 0.0406(7) Uani 1 1 d . . . . .
H26A H 0.0255 0.7941 0.8626 0.049 Uiso 1 1 calc R U . . .
C34 C 0.3860(2) 0.8791(2) 0.9167(2) 0.0299(5) Uani 1 1 d . . . . .
C40 C 0.8480(2) 0.8524(2) 0.7094(2) 0.0316(5) Uani 1 1 d . . . . .
H40A H 0.8762 0.8549 0.6497 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6179(3) 0.2123(2) 0.6078(2) 0.0341(6) Uani 1 1 d . . . . .
H10A H 0.6113 0.2429 0.5544 0.041 Uiso 1 1 calc R U . . .
C33 C 0.3537(2) 0.9153(2) 0.8343(2) 0.0334(6) Uani 1 1 d . . . . .
C32 C 0.3793(2) 0.8631(2) 0.7378(2) 0.0321(5) Uani 1 1 d . . . . .
C18 C 0.1169(3) 0.4198(2) 0.6767(3) 0.0427(7) Uani 1 1 d . . . . .
C39 C 0.8851(2) 0.9478(2) 0.8070(2) 0.0313(5) Uani 1 1 d . . . . .
H39A H 0.9397 1.0155 0.8147 0.038 Uiso 1 1 calc R U . . .
C25 C 0.1046(2) 0.6610(2) 0.8252(2) 0.0358(6) Uani 1 1 d . . . . .
H25A H 0.1163 0.6626 0.7592 0.043 Uiso 1 1 calc R U . . .
C6 C 0.6180(3) 0.2296(2) 0.7877(2) 0.0351(6) Uani 1 1 d . . . . .
H6A H 0.6101 0.2715 0.8577 0.042 Uiso 1 1 calc R U . . .
C29 C 0.1229(3) 0.5792(3) 0.9559(3) 0.0473(7) Uani 1 1 d . . . . .
H29A H 0.1471 0.5242 0.9809 0.057 Uiso 1 1 calc R U . . .
C8 C 0.6533(3) 0.0616(2) 0.6620(3) 0.0421(7) Uani 1 1 d . . . . .
H8A H 0.6692 -0.0113 0.6456 0.051 Uiso 1 1 calc R U . . .
C9 C 0.6405(3) 0.1053(2) 0.5841(2) 0.0418(7) Uani 1 1 d . . . . .
H9A H 0.6472 0.0623 0.5139 0.050 Uiso 1 1 calc R U . . .
C27 C 0.0327(3) 0.7365(2) 0.9797(3) 0.0479(8) Uani 1 1 d . . . . .
H27A H -0.0053 0.7908 1.0209 0.058 Uiso 1 1 calc R U . . .
B1 B 0.4319(2) 0.5260(2) 0.7785(2) 0.0233(5) Uani 1 1 d . . . . .
C28 C 0.0677(3) 0.6590(3) 1.0154(3) 0.0553(9) Uani 1 1 d . . . . .
H28A H 0.0547 0.6591 1.0814 0.066 Uiso 1 1 calc R U . . .
C23 C 0.0185(3) 0.3317(3) 0.6595(3) 0.0555(9) Uani 1 1 d . . . . .
H23A H 0.0038 0.3181 0.7198 0.067 Uiso 1 1 calc R U . . .
C7 C 0.6429(3) 0.1236(2) 0.7633(3) 0.0437(7) Uani 1 1 d . . . . .
H7A H 0.6528 0.0936 0.8172 0.052 Uiso 1 1 calc R U . . .
C19 C 0.1336(3) 0.4402(3) 0.5893(3) 0.0527(8) Uani 1 1 d . . . . .
H19A H 0.2013 0.5014 0.6008 0.063 Uiso 1 1 calc R U . . .
C21 C -0.0415(4) 0.2844(4) 0.4659(3) 0.0721(12) Uani 1 1 d . . . . .
H21A H -0.0951 0.2379 0.3936 0.087 Uiso 1 1 calc R U . . .
C22 C -0.0607(3) 0.2614(3) 0.5528(4) 0.0714(12) Uani 1 1 d . . . . .
H22A H -0.1269 0.1987 0.5405 0.086 Uiso 1 1 calc R U . . .
C20 C 0.0543(4) 0.3738(4) 0.4845(3) 0.0667(10) Uani 1 1 d . . . . .
H20A H 0.0667 0.3907 0.4251 0.080 Uiso 1 1 calc R U . . .
O1 O 0.32013(16) 0.55111(16) 0.79467(16) 0.0379(4) Uani 1 1 d . . . . .
C17 C 0.2026(3) 0.4913(2) 0.7949(2) 0.0385(6) Uani 1 1 d . . . . .
H17A H 0.2197 0.4400 0.8326 0.046 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
Te1 C1 2.081(2) . ?
Te1 C4 2.087(2) . ?
F10 C35 1.345(3) . ?
F1 C12 1.346(3) . ?
F5 C16 1.340(3) . ?
F6 C31 1.339(3) . ?
F9 C34 1.341(3) . ?
F4 C15 1.343(3) . ?
F2 C13 1.340(3) . ?
F7 C32 1.345(3) . ?
F3 C14 1.339(3) . ?
F8 C33 1.341(3) . ?
C30 C31 1.384(3) . ?
C30 C35 1.384(3) . ?
C30 C3 1.503(3) . ?
C11 C16 1.385(3) . ?
C11 C12 1.386(3) . ?
C11 C2 1.501(3) . ?
C4 C3 1.350(3) . ?
C4 C36 1.486(3) . ?
C36 C41 1.389(3) . ?
C36 C37 1.394(3) . ?
C3 B1 1.563(3) . ?
C16 C15 1.378(3) . ?
C35 C34 1.371(3) . ?
C12 C13 1.381(3) . ?
C37 C38 1.383(3) . ?
C37 H37A 0.9500 . ?
C1 C2 1.359(3) . ?
C1 C5 1.491(3) . ?
C5 C10 1.388(3) . ?
C5 C6 1.392(3) . ?
C2 B1 1.549(3) . ?
C31 C32 1.380(3) . ?
C41 C40 1.385(3) . ?
C41 H41A 0.9500 . ?
C24 C29 1.389(4) . ?
C24 C25 1.394(4) . ?
C24 C17 1.520(4) . ?
C15 C14 1.373(4) . ?
C38 C39 1.383(4) . ?
C38 H38A 0.9500 . ?
C13 C14 1.372(4) . ?
C26 C27 1.350(4) . ?
C26 C25 1.367(4) . ?
C26 H26A 0.9500 . ?
C34 C33 1.375(4) . ?
C40 C39 1.382(4) . ?
C40 H40A 0.9500 . ?
C10 C9 1.390(4) . ?
C10 H10A 0.9500 . ?
C33 C32 1.367(4) . ?
C18 C19 1.366(5) . ?
C18 C23 1.372(4) . ?
C18 C17 1.538(4) . ?
C39 H39A 0.9500 . ?
C25 H25A 0.9500 . ?
C6 C7 1.387(4) . ?
C6 H6A 0.9500 . ?
C29 C28 1.385(5) . ?
C29 H29A 0.9500 . ?
C8 C7 1.373(4) . ?
C8 C9 1.375(4) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C27 C28 1.346(5) . ?
C27 H27A 0.9500 . ?
B1 O1 1.371(3) . ?
C28 H28A 0.9500 . ?
C23 C22 1.405(5) . ?
C23 H23A 0.9500 . ?
C7 H7A 0.9500 . ?
C19 C20 1.380(5) . ?
C19 H19A 0.9500 . ?
C21 C20 1.360(6) . ?
C21 C22 1.383(6) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C20 H20A 0.9500 . ?
O1 C17 1.415(3) . ?
C17 H17A 1.0000 . ?
 
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 Te1 C4 96.84(9) . . ?
C31 C30 C35 116.1(2) . . ?
C31 C30 C3 122.5(2) . . ?
C35 C30 C3 121.24(19) . . ?
C16 C11 C12 116.1(2) . . ?
C16 C11 C2 121.7(2) . . ?
C12 C11 C2 122.2(2) . . ?
C3 C4 C36 124.70(19) . . ?
C3 C4 Te1 122.29(16) . . ?
C36 C4 Te1 112.95(15) . . ?
C41 C36 C37 118.9(2) . . ?
C41 C36 C4 121.1(2) . . ?
C37 C36 C4 120.0(2) . . ?
C4 C3 C30 117.35(19) . . ?
C4 C3 B1 127.8(2) . . ?
C30 C3 B1 114.81(18) . . ?
F5 C16 C15 117.6(2) . . ?
F5 C16 C11 119.7(2) . . ?
C15 C16 C11 122.7(2) . . ?
F10 C35 C34 117.5(2) . . ?
F10 C35 C30 119.65(19) . . ?
C34 C35 C30 122.8(2) . . ?
F1 C12 C13 118.5(2) . . ?
F1 C12 C11 119.3(2) . . ?
C13 C12 C11 122.1(2) . . ?
C38 C37 C36 120.5(2) . . ?
C38 C37 H37A 119.8 . . ?
C36 C37 H37A 119.8 . . ?
C2 C1 C5 123.9(2) . . ?
C2 C1 Te1 124.60(17) . . ?
C5 C1 Te1 111.49(16) . . ?
C10 C5 C6 119.2(2) . . ?
C10 C5 C1 120.8(2) . . ?
C6 C5 C1 120.0(2) . . ?
C1 C2 C11 115.1(2) . . ?
C1 C2 B1 125.2(2) . . ?
C11 C2 B1 119.63(19) . . ?
F6 C31 C32 118.1(2) . . ?
F6 C31 C30 119.9(2) . . ?
C32 C31 C30 122.0(2) . . ?
C40 C41 C36 120.3(2) . . ?
C40 C41 H41A 119.8 . . ?
C36 C41 H41A 119.8 . . ?
C29 C24 C25 118.4(2) . . ?
C29 C24 C17 119.3(3) . . ?
C25 C24 C17 122.3(3) . . ?
F4 C15 C14 120.0(2) . . ?
F4 C15 C16 120.6(2) . . ?
C14 C15 C16 119.4(2) . . ?
C37 C38 C39 120.2(2) . . ?
C37 C38 H38A 119.9 . . ?
C39 C38 H38A 119.9 . . ?
F2 C13 C14 120.0(2) . . ?
F2 C13 C12 120.2(2) . . ?
C14 C13 C12 119.8(2) . . ?
F3 C14 C13 120.0(2) . . ?
F3 C14 C15 120.1(2) . . ?
C13 C14 C15 119.8(2) . . ?
C27 C26 C25 120.5(3) . . ?
C27 C26 H26A 119.7 . . ?
C25 C26 H26A 119.7 . . ?
F9 C34 C35 121.1(2) . . ?
F9 C34 C33 119.6(2) . . ?
C35 C34 C33 119.4(2) . . ?
C39 C40 C41 120.4(2) . . ?
C39 C40 H40A 119.8 . . ?
C41 C40 H40A 119.8 . . ?
C5 C10 C9 120.2(2) . . ?
C5 C10 H10A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
F8 C33 C32 120.9(2) . . ?
F8 C33 C34 119.4(2) . . ?
C32 C33 C34 119.7(2) . . ?
F7 C32 C33 119.6(2) . . ?
F7 C32 C31 120.4(2) . . ?
C33 C32 C31 120.0(2) . . ?
C19 C18 C23 118.9(3) . . ?
C19 C18 C17 123.4(3) . . ?
C23 C18 C17 117.7(3) . . ?
C40 C39 C38 119.7(2) . . ?
C40 C39 H39A 120.2 . . ?
C38 C39 H39A 120.2 . . ?
C26 C25 C24 120.0(3) . . ?
C26 C25 H25A 120.0 . . ?
C24 C25 H25A 120.0 . . ?
C7 C6 C5 119.9(2) . . ?
C7 C6 H6A 120.0 . . ?
C5 C6 H6A 120.0 . . ?
C28 C29 C24 119.8(3) . . ?
C28 C29 H29A 120.1 . . ?
C24 C29 H29A 120.1 . . ?
C7 C8 C9 119.9(2) . . ?
C7 C8 H8A 120.1 . . ?
C9 C8 H8A 120.1 . . ?
C8 C9 C10 120.3(3) . . ?
C8 C9 H9A 119.9 . . ?
C10 C9 H9A 119.9 . . ?
C28 C27 C26 121.1(3) . . ?
C28 C27 H27A 119.4 . . ?
C26 C27 H27A 119.4 . . ?
O1 B1 C2 127.0(2) . . ?
O1 B1 C3 109.7(2) . . ?
C2 B1 C3 123.2(2) . . ?
C27 C28 C29 120.1(3) . . ?
C27 C28 H28A 120.0 . . ?
C29 C28 H28A 120.0 . . ?
C18 C23 C22 120.2(4) . . ?
C18 C23 H23A 119.9 . . ?
C22 C23 H23A 119.9 . . ?
C8 C7 C6 120.6(3) . . ?
C8 C7 H7A 119.7 . . ?
C6 C7 H7A 119.7 . . ?
C18 C19 C20 121.5(3) . . ?
C18 C19 H19A 119.3 . . ?
C20 C19 H19A 119.3 . . ?
C20 C21 C22 119.8(4) . . ?
C20 C21 H21A 120.1 . . ?
C22 C21 H21A 120.1 . . ?
C21 C22 C23 119.4(3) . . ?
C21 C22 H22A 120.3 . . ?
C23 C22 H22A 120.3 . . ?
C21 C20 C19 120.1(4) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
B1 O1 C17 136.2(2) . . ?
O1 C17 C24 106.7(2) . . ?
O1 C17 C18 109.9(2) . . ?
C24 C17 C18 112.4(2) . . ?
O1 C17 H17A 109.3 . . ?
C24 C17 H17A 109.3 . . ?
C18 C17 H17A 109.3 . . ?
 
_refine_diff_density_max    1.146
_refine_diff_density_min   -0.466
_refine_diff_density_rms    0.074



