# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_ydkr
_audit_block_doi                 10.5517/ccdc.csd.cc24p297
_database_code_depnum_ccdc_archive 'CCDC 1986458'
loop_
_audit_author_name
_audit_author_address
'Yoshitaka Aramaki'
;Nagoya University
Japan
;
_audit_update_record             
;
2020-02-26 deposited with the CCDC.	2020-03-20 downloaded from the CCDC.
;

_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            'C26 H10 B Br F15 N'
_chemical_formula_weight         712.07

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'
Br Br -0.2901 2.4595 '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                   7.300(5)
_cell_length_b                   11.867(8)
_cell_length_c                   15.598(9)
_cell_angle_alpha                78.16(4)
_cell_angle_beta                 80.45(4)
_cell_angle_gamma                88.78(5)
_cell_volume                     1304.1(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    2108
_cell_measurement_theta_min      3.3
_cell_measurement_theta_max      27.3

_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_F_000             696
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    1.703
_shelx_estimated_absorpt_T_min   0.848
_shelx_estimated_absorpt_T_max   0.967
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.769
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_reflns_number            9948
_diffrn_reflns_av_unetI/netI     0.1268
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.288
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measured_fraction_theta_full 0.948
_diffrn_reflns_Laue_measured_fraction_max 0.923
_diffrn_reflns_Laue_measured_fraction_full 0.948
_diffrn_reflns_point_group_measured_fraction_max 0.923
_diffrn_reflns_point_group_measured_fraction_full 0.948
_reflns_number_total             5538
_reflns_number_gt                2622
_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       'CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)'
_computing_structure_solution    SIR-97
_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)+(0.0526P)²] 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         5538
_refine_ls_number_parameters     399
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1239
_refine_ls_R_factor_gt           0.0518
_refine_ls_wR_factor_ref         0.1267
_refine_ls_wR_factor_gt          0.1073
_refine_ls_goodness_of_fit_ref   0.834
_refine_ls_restrained_S_all      0.834
_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
C1 C 0.1563(8) 0.2259(5) 0.2541(3) 0.0623(15) Uani 1 1 d . . . . .
H1 H 0.2843 0.2166 0.2656 0.093 Uiso 1 1 calc R U . . .
H1A H 0.1575 0.2556 0.1906 0.093 Uiso 1 1 calc R U . . .
H1B H 0.0914 0.1512 0.2721 0.093 Uiso 1 1 calc R U . . .
N1 N 0.0612(6) 0.3063(4) 0.3044(3) 0.0557(11) Uani 1 1 d . . . . .
C2 C 0.0050(8) 0.4162(5) 0.2573(3) 0.0651(16) Uani 1 1 d . . . . .
H2 H -0.1290 0.4251 0.2744 0.098 Uiso 1 1 calc R U . . .
H2A H 0.0343 0.4196 0.1932 0.098 Uiso 1 1 calc R U . . .
H2B H 0.0716 0.4783 0.2725 0.098 Uiso 1 1 calc R U . . .
C3 C 0.0323(6) 0.2808(4) 0.3951(3) 0.0402(11) Uani 1 1 d . . . . .
C4 C 0.0809(6) 0.1743(4) 0.4432(3) 0.0407(11) Uani 1 1 d . . . . .
H4 H 0.1366 0.1183 0.4118 0.049 Uiso 1 1 calc R U . . .
C5 C 0.0503(6) 0.1487(4) 0.5343(3) 0.0380(11) Uani 1 1 d . . . . .
H5 H 0.0853 0.0757 0.5646 0.046 Uiso 1 1 calc R U . . .
C6 C -0.0303(5) 0.2273(4) 0.5827(3) 0.0356(10) Uani 1 1 d . . . . .
C7 C -0.0795(6) 0.3350(4) 0.5372(3) 0.0414(11) Uani 1 1 d . . . . .
H7 H -0.1330 0.3907 0.5695 0.050 Uiso 1 1 calc R U . . .
C8 C -0.0508(6) 0.3603(4) 0.4464(3) 0.0389(11) Uani 1 1 d . . . . .
H8 H -0.0876 0.4332 0.4166 0.047 Uiso 1 1 calc R U . . .
Br1 Br -0.07144(7) 0.19324(5) 0.70774(3) 0.05289(19) Uani 1 1 d . . . . .
B1 B 0.4079(7) 0.1841(4) 0.7431(3) 0.0321(12) Uani 1 1 d . . . . .
C9 C 0.4468(5) 0.2116(4) 0.6403(3) 0.0300(10) Uani 1 1 d . . . . .
C10 C 0.5391(6) 0.1378(4) 0.5883(3) 0.0313(10) Uani 1 1 d . . . . .
C11 C 0.5707(6) 0.1608(4) 0.4971(3) 0.0354(11) Uani 1 1 d . . . . .
C12 C 0.5157(6) 0.2655(4) 0.4519(3) 0.0342(10) Uani 1 1 d . . . . .
C13 C 0.4254(6) 0.3411(4) 0.4993(3) 0.0351(11) Uani 1 1 d . . . . .
C14 C 0.3927(5) 0.3153(3) 0.5903(3) 0.0285(9) Uani 1 1 d . . . . .
F1 F 0.6028(3) 0.0358(2) 0.62724(15) 0.0407(6) Uani 1 1 d . . . . .
F2 F 0.6578(3) 0.0849(2) 0.45147(15) 0.0479(7) Uani 1 1 d . . . . .
F3 F 0.5457(4) 0.2893(2) 0.36368(15) 0.0524(7) Uani 1 1 d . . . . .
F4 F 0.3703(3) 0.4433(2) 0.45535(15) 0.0458(7) Uani 1 1 d . . . . .
F5 F 0.2994(3) 0.3941(2) 0.63138(15) 0.0399(6) Uani 1 1 d . . . . .
C15 C 0.3576(6) 0.2769(4) 0.8019(3) 0.0332(10) Uani 1 1 d . . . . .
C16 C 0.4577(6) 0.3775(4) 0.7899(3) 0.0397(11) Uani 1 1 d . . . . .
C17 C 0.4257(7) 0.4536(4) 0.8475(3) 0.0472(12) Uani 1 1 d . . . . .
C18 C 0.2837(8) 0.4311(5) 0.9188(3) 0.0564(15) Uani 1 1 d . . . . .
C19 C 0.1776(7) 0.3333(5) 0.9324(3) 0.0508(14) Uani 1 1 d . . . . .
C20 C 0.2156(7) 0.2576(4) 0.8746(3) 0.0409(12) Uani 1 1 d . . . . .
F6 F 0.5999(4) 0.4043(2) 0.72197(17) 0.0518(7) Uani 1 1 d . . . . .
F7 F 0.5310(5) 0.5492(3) 0.8339(2) 0.0745(9) Uani 1 1 d . . . . .
F8 F 0.2507(5) 0.5026(3) 0.9757(2) 0.0887(11) Uani 1 1 d . . . . .
F9 F 0.0393(5) 0.3089(3) 1.00184(19) 0.0829(10) Uani 1 1 d . . . . .
F10 F 0.1081(4) 0.1626(2) 0.89116(16) 0.0538(7) Uani 1 1 d . . . . .
C21 C 0.4274(6) 0.0555(4) 0.7970(2) 0.0319(10) Uani 1 1 d . . . . .
C22 C 0.5371(6) 0.0321(4) 0.8619(3) 0.0358(11) Uani 1 1 d . . . . .
C23 C 0.5583(7) -0.0768(4) 0.9101(3) 0.0411(12) Uani 1 1 d . . . . .
C24 C 0.4604(7) -0.1663(4) 0.8980(3) 0.0435(12) Uani 1 1 d . . . . .
C25 C 0.3460(7) -0.1498(4) 0.8344(3) 0.0423(12) Uani 1 1 d . . . . .
C26 C 0.3333(6) -0.0395(4) 0.7850(3) 0.0379(11) Uani 1 1 d . . . . .
F11 F 0.6321(4) 0.1198(2) 0.87988(15) 0.0485(7) Uani 1 1 d . . . . .
F12 F 0.6754(4) -0.0941(2) 0.96929(17) 0.0601(8) Uani 1 1 d . . . . .
F13 F 0.4778(5) -0.2727(2) 0.94582(17) 0.0677(9) Uani 1 1 d . . . . .
F14 F 0.2506(4) -0.2379(2) 0.82181(18) 0.0612(8) Uani 1 1 d . . . . .
F15 F 0.2254(4) -0.0274(2) 0.72222(16) 0.0505(7) 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
C1 N1 1.451(6) . ?
N1 C3 1.366(6) . ?
N1 C2 1.447(6) . ?
C3 C4 1.402(6) . ?
C3 C8 1.422(6) . ?
C4 C5 1.372(6) . ?
C5 C6 1.380(6) . ?
C6 C7 1.400(6) . ?
C6 Br1 1.883(4) . ?
C7 C8 1.368(6) . ?
B1 C9 1.548(6) . ?
B1 C15 1.572(6) . ?
B1 C21 1.600(6) . ?
C9 C14 1.401(6) . ?
C9 C10 1.402(6) . ?
C10 F1 1.349(5) . ?
C10 C11 1.373(5) . ?
C11 F2 1.345(5) . ?
C11 C12 1.384(6) . ?
C12 F3 1.329(4) . ?
C12 C13 1.369(6) . ?
C13 F4 1.354(5) . ?
C13 C14 1.371(5) . ?
C14 F5 1.350(5) . ?
C15 C16 1.376(6) . ?
C15 C20 1.389(6) . ?
C16 F6 1.346(5) . ?
C16 C17 1.389(6) . ?
C17 F7 1.345(6) . ?
C17 C18 1.374(7) . ?
C18 F8 1.340(5) . ?
C18 C19 1.368(7) . ?
C19 F9 1.341(5) . ?
C19 C20 1.391(6) . ?
C20 F10 1.343(5) . ?
C21 C22 1.374(6) . ?
C21 C26 1.393(6) . ?
C22 F11 1.363(5) . ?
C22 C23 1.374(6) . ?
C23 F12 1.342(5) . ?
C23 C24 1.355(6) . ?
C24 F13 1.344(5) . ?
C24 C25 1.381(6) . ?
C25 F14 1.334(5) . ?
C25 C26 1.386(6) . ?
C26 F15 1.339(5) . ?

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
C3 N1 C2 120.2(4) . . ?
C3 N1 C1 120.5(4) . . ?
C2 N1 C1 119.2(4) . . ?
N1 C3 C4 122.0(4) . . ?
N1 C3 C8 122.0(4) . . ?
C4 C3 C8 116.0(4) . . ?
C5 C4 C3 121.8(4) . . ?
C4 C5 C6 121.2(4) . . ?
C5 C6 C7 118.8(4) . . ?
C5 C6 Br1 121.4(3) . . ?
C7 C6 Br1 119.7(3) . . ?
C8 C7 C6 120.1(4) . . ?
C7 C8 C3 122.1(4) . . ?
C9 B1 C15 124.2(4) . . ?
C9 B1 C21 120.4(4) . . ?
C15 B1 C21 115.3(4) . . ?
C14 C9 C10 113.5(4) . . ?
C14 C9 B1 122.2(4) . . ?
C10 C9 B1 124.3(4) . . ?
F1 C10 C11 115.2(4) . . ?
F1 C10 C9 120.2(4) . . ?
C11 C10 C9 124.5(4) . . ?
F2 C11 C10 121.3(4) . . ?
F2 C11 C12 119.8(4) . . ?
C10 C11 C12 118.9(4) . . ?
F3 C12 C13 121.2(4) . . ?
F3 C12 C11 119.7(4) . . ?
C13 C12 C11 119.1(4) . . ?
F4 C13 C12 119.3(4) . . ?
F4 C13 C14 119.9(4) . . ?
C12 C13 C14 120.8(4) . . ?
F5 C14 C13 116.6(4) . . ?
F5 C14 C9 120.2(4) . . ?
C13 C14 C9 123.1(4) . . ?
C16 C15 C20 115.3(4) . . ?
C16 C15 B1 123.3(4) . . ?
C20 C15 B1 121.2(4) . . ?
F6 C16 C15 120.3(4) . . ?
F6 C16 C17 116.4(4) . . ?
C15 C16 C17 123.3(4) . . ?
F7 C17 C18 119.7(5) . . ?
F7 C17 C16 120.8(5) . . ?
C18 C17 C16 119.5(5) . . ?
F8 C18 C19 119.9(5) . . ?
F8 C18 C17 120.7(5) . . ?
C19 C18 C17 119.4(5) . . ?
F9 C19 C18 120.6(5) . . ?
F9 C19 C20 119.7(5) . . ?
C18 C19 C20 119.8(5) . . ?
F10 C20 C15 119.8(4) . . ?
F10 C20 C19 117.4(4) . . ?
C15 C20 C19 122.8(5) . . ?
C22 C21 C26 114.9(4) . . ?
C22 C21 B1 121.0(4) . . ?
C26 C21 B1 124.0(4) . . ?
F11 C22 C21 119.3(4) . . ?
F11 C22 C23 117.4(4) . . ?
C21 C22 C23 123.3(4) . . ?
F12 C23 C24 120.2(4) . . ?
F12 C23 C22 120.0(4) . . ?
C24 C23 C22 119.9(4) . . ?
F13 C24 C23 120.3(4) . . ?
F13 C24 C25 119.3(4) . . ?
C23 C24 C25 120.3(4) . . ?
F14 C25 C24 120.4(4) . . ?
F14 C25 C26 121.5(4) . . ?
C24 C25 C26 118.0(4) . . ?
F15 C26 C25 116.4(4) . . ?
F15 C26 C21 120.1(4) . . ?
C25 C26 C21 123.5(4) . . ?

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 C3 C4 178.5(5) . . . . ?
C1 N1 C3 C4 -4.4(7) . . . . ?
C2 N1 C3 C8 -0.7(7) . . . . ?
C1 N1 C3 C8 176.3(4) . . . . ?
N1 C3 C4 C5 -179.5(4) . . . . ?
C8 C3 C4 C5 -0.2(6) . . . . ?
C3 C4 C5 C6 0.1(6) . . . . ?
C4 C5 C6 C7 -0.6(6) . . . . ?
C4 C5 C6 Br1 -179.6(3) . . . . ?
C5 C6 C7 C8 1.2(6) . . . . ?
Br1 C6 C7 C8 -179.7(3) . . . . ?
C6 C7 C8 C3 -1.4(7) . . . . ?
N1 C3 C8 C7 -179.9(4) . . . . ?
C4 C3 C8 C7 0.8(6) . . . . ?
C15 B1 C9 C14 -17.7(6) . . . . ?
C21 B1 C9 C14 165.5(4) . . . . ?
C15 B1 C9 C10 161.8(4) . . . . ?
C21 B1 C9 C10 -15.0(6) . . . . ?
C14 C9 C10 F1 178.7(3) . . . . ?
B1 C9 C10 F1 -0.9(6) . . . . ?
C14 C9 C10 C11 -1.9(6) . . . . ?
B1 C9 C10 C11 178.6(4) . . . . ?
F1 C10 C11 F2 0.5(6) . . . . ?
C9 C10 C11 F2 -179.0(4) . . . . ?
F1 C10 C11 C12 -177.7(4) . . . . ?
C9 C10 C11 C12 2.8(6) . . . . ?
F2 C11 C12 F3 1.5(6) . . . . ?
C10 C11 C12 F3 179.8(4) . . . . ?
F2 C11 C12 C13 179.3(4) . . . . ?
C10 C11 C12 C13 -2.4(6) . . . . ?
F3 C12 C13 F4 -1.8(6) . . . . ?
C11 C12 C13 F4 -179.6(4) . . . . ?
F3 C12 C13 C14 179.1(4) . . . . ?
C11 C12 C13 C14 1.3(6) . . . . ?
F4 C13 C14 F5 2.2(6) . . . . ?
C12 C13 C14 F5 -178.7(4) . . . . ?
F4 C13 C14 C9 -179.5(4) . . . . ?
C12 C13 C14 C9 -0.4(6) . . . . ?
C10 C9 C14 F5 178.8(3) . . . . ?
B1 C9 C14 F5 -1.6(6) . . . . ?
C10 C9 C14 C13 0.6(6) . . . . ?
B1 C9 C14 C13 -179.8(4) . . . . ?
C9 B1 C15 C16 -49.3(6) . . . . ?
C21 B1 C15 C16 127.6(4) . . . . ?
C9 B1 C15 C20 135.8(4) . . . . ?
C21 B1 C15 C20 -47.2(6) . . . . ?
C20 C15 C16 F6 179.3(4) . . . . ?
B1 C15 C16 F6 4.2(6) . . . . ?
C20 C15 C16 C17 2.2(6) . . . . ?
B1 C15 C16 C17 -172.9(4) . . . . ?
F6 C16 C17 F7 1.1(6) . . . . ?
C15 C16 C17 F7 178.2(4) . . . . ?
F6 C16 C17 C18 -179.4(4) . . . . ?
C15 C16 C17 C18 -2.3(7) . . . . ?
F7 C17 C18 F8 -1.0(7) . . . . ?
C16 C17 C18 F8 179.5(4) . . . . ?
F7 C17 C18 C19 -179.7(5) . . . . ?
C16 C17 C18 C19 0.7(7) . . . . ?
F8 C18 C19 F9 0.7(8) . . . . ?
C17 C18 C19 F9 179.5(4) . . . . ?
F8 C18 C19 C20 -178.2(4) . . . . ?
C17 C18 C19 C20 0.6(8) . . . . ?
C16 C15 C20 F10 179.0(4) . . . . ?
B1 C15 C20 F10 -5.8(6) . . . . ?
C16 C15 C20 C19 -0.8(6) . . . . ?
B1 C15 C20 C19 174.4(4) . . . . ?
F9 C19 C20 F10 0.8(6) . . . . ?
C18 C19 C20 F10 179.6(4) . . . . ?
F9 C19 C20 C15 -179.4(4) . . . . ?
C18 C19 C20 C15 -0.6(7) . . . . ?
C9 B1 C21 C22 126.4(4) . . . . ?
C15 B1 C21 C22 -50.7(6) . . . . ?
C9 B1 C21 C26 -55.7(6) . . . . ?
C15 B1 C21 C26 127.2(4) . . . . ?
C26 C21 C22 F11 -178.8(4) . . . . ?
B1 C21 C22 F11 -0.7(6) . . . . ?
C26 C21 C22 C23 1.9(6) . . . . ?
B1 C21 C22 C23 179.9(4) . . . . ?
F11 C22 C23 F12 -2.9(6) . . . . ?
C21 C22 C23 F12 176.5(4) . . . . ?
F11 C22 C23 C24 176.9(4) . . . . ?
C21 C22 C23 C24 -3.7(7) . . . . ?
F12 C23 C24 F13 0.9(7) . . . . ?
C22 C23 C24 F13 -178.9(4) . . . . ?
F12 C23 C24 C25 -177.1(4) . . . . ?
C22 C23 C24 C25 3.1(7) . . . . ?
F13 C24 C25 F14 1.4(7) . . . . ?
C23 C24 C25 F14 179.5(4) . . . . ?
F13 C24 C25 C26 -178.9(4) . . . . ?
C23 C24 C25 C26 -0.8(7) . . . . ?
F14 C25 C26 F15 -2.2(6) . . . . ?
C24 C25 C26 F15 178.1(4) . . . . ?
F14 C25 C26 C21 178.7(4) . . . . ?
C24 C25 C26 C21 -1.0(7) . . . . ?
C22 C21 C26 F15 -178.6(4) . . . . ?
B1 C21 C26 F15 3.4(6) . . . . ?
C22 C21 C26 C25 0.5(6) . . . . ?
B1 C21 C26 C25 -177.5(4) . . . . ?

_refine_diff_density_max         0.518
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.082

