#------------------------------------------------------------------------------
#$Date: 2024-05-05 05:36:31 +0300 (Sun, 05 May 2024) $
#$Revision: 291606 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/54/7715435.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7715435
loop_
_publ_author_name
'Nguyen, Tony'
'Dutton, Jason L.'
'Chang, Chia Yun'
'Zhou, Wen'
'Piers, Warren E.'
_publ_section_title
;
 Direct C-H electrophilic borylation with
 (C₆F₅)₂B-NTf₂ to generate B-N
 dibenzo[a,h]pyrenes.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7273
_journal_page_last               7281
_journal_paper_doi               10.1039/d4dt00469h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C44 H10 B2 F22 N2, 2(C3 H6 O)'
_chemical_formula_sum            'C50 H22 B2 F22 N2 O2'
_chemical_formula_weight         1122.31
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-09-23
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2024-02-15 deposited with the CCDC.	2024-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                94.889(5)
_cell_angle_beta                 97.993(5)
_cell_angle_gamma                102.729(5)
_cell_formula_units_Z            1
_cell_length_a                   9.0598(6)
_cell_length_b                   10.5792(7)
_cell_length_c                   12.1126(8)
_cell_measurement_reflns_used    5578
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      66.63
_cell_measurement_theta_min      3.71
_cell_volume                     1113.31(13)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0667
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12542
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        66.576
_diffrn_reflns_theta_max         66.576
_diffrn_reflns_theta_min         3.712
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.482
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.6691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0964 before and 0.0734 after correction.
The Ratio of minimum to maximum transmission is 0.8888.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_description       Block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.221
_exptl_crystal_size_mid          0.064
_exptl_crystal_size_min          0.053
_refine_diff_density_max         0.267
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         3791
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0686P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1275
_refine_ls_wR_factor_ref         0.1380
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2810
_reflns_number_total             3791
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt00469h2.cif
_cod_data_source_block           cu_20220922TN02157_0m_a
_cod_depositor_comments
'Adding full bibliography for 7715430--7715439.cif.'
_cod_database_code               7715435
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C16(H16), C17(H17), C20(H20), C21(H21)
1.b Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
F1 F 0.61019(17) 0.48268(13) 0.76130(11) 0.0330(4) Uani 1 1 d . . . . .
O1 O 1.0045(3) 1.1122(2) 0.3323(2) 0.0617(6) Uani 1 1 d . . . . .
N1 N 0.4719(2) 0.36650(18) 0.38654(15) 0.0232(4) Uani 1 1 d . . . . .
C22 C 0.5356(3) 0.6719(2) 0.83257(19) 0.0264(5) Uani 1 1 d . . . . .
B1 B 0.4489(3) 0.6947(3) 0.7091(2) 0.0231(6) Uani 1 1 d . . . . .
F2 F 0.74831(18) 0.44969(14) 0.96026(13) 0.0416(4) Uani 1 1 d . . . . .
C21 C 0.6078(3) 0.5694(2) 0.8488(2) 0.0274(5) Uani 1 1 d . . . . .
F3 F 0.7425(2) 0.61067(16) 1.14739(12) 0.0473(4) Uani 1 1 d . . . . .
C20 C 0.6793(3) 0.5490(2) 0.9520(2) 0.0317(6) Uani 1 1 d . . . . .
F4 F 0.59103(19) 0.80406(16) 1.12842(12) 0.0444(4) Uani 1 1 d . . . . .
C19 C 0.6760(3) 0.6296(3) 1.0460(2) 0.0343(6) Uani 1 1 d . . . . .
F5 F 0.46059(17) 0.84660(14) 0.92945(12) 0.0376(4) Uani 1 1 d . . . . .
C18 C 0.5997(3) 0.7278(3) 1.0357(2) 0.0333(6) Uani 1 1 d . . . . .
F6 F 0.69760(17) 0.93470(13) 0.81781(13) 0.0380(4) Uani 1 1 d . . . . .
C13 C 0.5325(3) 0.7468(2) 0.9316(2) 0.0295(5) Uani 1 1 d . . . . .
F7 F 0.70839(19) 1.17820(14) 0.77694(14) 0.0459(4) Uani 1 1 d . . . . .
C14 C 0.4667(3) 0.8490(2) 0.68750(19) 0.0260(5) Uani 1 1 d . . . . .
F8 F 0.4952(2) 1.23364(14) 0.61923(14) 0.0469(4) Uani 1 1 d . . . . .
C15 C 0.5827(3) 0.9544(2) 0.7410(2) 0.0293(5) Uani 1 1 d . . . . .
F9 F 0.26939(19) 1.03579(14) 0.50071(13) 0.0433(4) Uani 1 1 d . . . . .
C16 C 0.5936(3) 1.0820(2) 0.7206(2) 0.0334(6) Uani 1 1 d . . . . .
F10 F 0.25388(17) 0.79048(13) 0.53982(12) 0.0363(4) Uani 1 1 d . . . . .
C17 C 0.4870(3) 1.1101(2) 0.6412(2) 0.0346(6) Uani 1 1 d . . . . .
F11 F -0.05557(18) 0.63600(16) 0.83189(13) 0.0456(4) Uani 1 1 d . . . . .
C11 C 0.3707(3) 1.0099(2) 0.5824(2) 0.0315(6) Uani 1 1 d . . . . .
C12 C 0.3651(3) 0.8839(2) 0.6058(2) 0.0277(5) Uani 1 1 d . . . . .
C6 C 0.2725(3) 0.6179(2) 0.69673(19) 0.0250(5) Uani 1 1 d . . . . .
C7 C 0.1804(3) 0.6609(2) 0.7677(2) 0.0294(5) Uani 1 1 d . . . . .
H14 H 0.219269 0.736051 0.818256 0.035 Uiso 1 1 calc R U . . .
C8 C 0.0314(3) 0.5914(3) 0.7623(2) 0.0308(6) Uani 1 1 d . . . . .
C9 C -0.0322(3) 0.4790(2) 0.6898(2) 0.0303(6) Uani 1 1 d . . . . .
H16 H -0.132317 0.432724 0.689347 0.036 Uiso 1 1 calc R U . . .
C10 C 0.0573(3) 0.4375(2) 0.6178(2) 0.0277(5) Uani 1 1 d . . . . .
H17 H 0.016042 0.363178 0.566707 0.033 Uiso 1 1 calc R U . . .
C5 C 0.2100(3) 0.5057(2) 0.62035(19) 0.0230(5) Uani 1 1 d . . . . .
C4 C 0.3016(3) 0.4599(2) 0.54162(18) 0.0225(5) Uani 1 1 d . . . . .
C3 C 0.2412(3) 0.3518(2) 0.46300(19) 0.0260(5) Uani 1 1 d . . . . .
H20 H 0.139933 0.306884 0.460185 0.031 Uiso 1 1 calc R U . . .
C2 C 0.3260(3) 0.3089(2) 0.3891(2) 0.0260(5) Uani 1 1 d . . . . .
H21 H 0.279385 0.235699 0.337826 0.031 Uiso 1 1 calc R U . . .
C1 C 0.5418(3) 0.4763(2) 0.46048(18) 0.0211(5) Uani 1 1 d . . . . .
C23 C 0.9659(3) 1.0104(3) 0.2714(3) 0.0469(7) Uani 1 1 d . . . . .
C24 C 0.9496(4) 0.8827(3) 0.3175(3) 0.0567(9) Uani 1 1 d . . . . .
H24A H 0.845381 0.833170 0.297173 0.085 Uiso 1 1 calc R U . . .
H24B H 0.976174 0.897723 0.397868 0.085 Uiso 1 1 calc R U . . .
H24C H 1.016556 0.835101 0.287319 0.085 Uiso 1 1 calc R U . . .
C25 C 0.9335(5) 1.0083(4) 0.1472(3) 0.0682(10) Uani 1 1 d . . . . .
H25A H 0.973575 0.941321 0.111826 0.102 Uiso 1 1 calc R U . . .
H25B H 0.981411 1.091435 0.126801 0.102 Uiso 1 1 calc R U . . .
H25C H 0.824772 0.990734 0.122898 0.102 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 N1 B1 116.48(19) . 2_666 ?
C2 N1 C1 118.9(2) . . ?
C1 N1 B1 124.50(19) . 2_666 ?
C21 C22 B1 123.5(2) . . ?
C13 C22 B1 122.8(2) . . ?
C13 C22 C21 113.5(2) . . ?
N1 B1 C22 108.18(18) 2_666 . ?
N1 B1 C14 104.71(18) 2_666 . ?
C22 B1 C14 114.93(19) . . ?
C6 B1 N1 109.87(19) . 2_666 ?
C6 B1 C22 107.09(19) . . ?
C6 B1 C14 111.96(19) . . ?
F1 C21 C22 120.3(2) . . ?
F1 C21 C20 115.8(2) . . ?
C20 C21 C22 123.9(2) . . ?
F2 C20 C21 120.3(2) . . ?
F2 C20 C19 120.4(2) . . ?
C19 C20 C21 119.4(2) . . ?
F3 C19 C20 120.6(2) . . ?
F3 C19 C18 120.2(2) . . ?
C20 C19 C18 119.2(2) . . ?
F4 C18 C19 119.4(2) . . ?
F4 C18 C13 120.7(2) . . ?
C13 C18 C19 119.9(2) . . ?
F5 C13 C22 120.1(2) . . ?
F5 C13 C18 115.8(2) . . ?
C18 C13 C22 124.1(2) . . ?
C15 C14 B1 126.3(2) . . ?
C12 C14 B1 120.6(2) . . ?
C12 C14 C15 113.0(2) . . ?
F6 C15 C14 120.1(2) . . ?
F6 C15 C16 115.3(2) . . ?
C16 C15 C14 124.6(2) . . ?
F7 C16 C15 120.8(2) . . ?
F7 C16 C17 119.9(2) . . ?
C17 C16 C15 119.3(2) . . ?
F8 C17 C16 120.6(2) . . ?
F8 C17 C11 120.0(2) . . ?
C16 C17 C11 119.4(2) . . ?
F9 C11 C17 119.8(2) . . ?
F9 C11 C12 121.1(2) . . ?
C12 C11 C17 119.0(2) . . ?
F10 C12 C14 119.9(2) . . ?
F10 C12 C11 115.5(2) . . ?
C11 C12 C14 124.6(2) . . ?
C7 C6 B1 119.0(2) . . ?
C7 C6 C5 118.9(2) . . ?
C5 C6 B1 122.1(2) . . ?
C6 C7 H14 120.2 . . ?
C8 C7 C6 119.6(2) . . ?
C8 C7 H14 120.2 . . ?
F11 C8 C7 118.2(2) . . ?
F11 C8 C9 118.9(2) . . ?
C7 C8 C9 122.9(2) . . ?
C8 C9 H16 121.1 . . ?
C8 C9 C10 117.8(2) . . ?
C10 C9 H16 121.1 . . ?
C9 C10 H17 119.4 . . ?
C9 C10 C5 121.1(2) . . ?
C5 C10 H17 119.4 . . ?
C6 C5 C10 119.7(2) . . ?
C6 C5 C4 120.5(2) . . ?
C10 C5 C4 119.8(2) . . ?
C3 C4 C5 121.7(2) . . ?
C3 C4 C1 115.3(2) . 2_666 ?
C1 C4 C5 123.0(2) 2_666 . ?
C4 C3 H20 119.0 . . ?
C2 C3 C4 121.9(2) . . ?
C2 C3 H20 119.0 . . ?
N1 C2 C3 123.6(2) . . ?
N1 C2 H21 118.2 . . ?
C3 C2 H21 118.2 . . ?
N1 C1 C4 119.7(2) . 2_666 ?
N1 C1 C1 119.4(3) . 2_666 ?
C1 C1 C4 120.9(3) 2_666 2_666 ?
O1 C23 C24 121.3(3) . . ?
O1 C23 C25 120.9(3) . . ?
C25 C23 C24 117.8(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
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
F1 C21 1.348(3) . ?
O1 C23 1.206(4) . ?
N1 B1 1.607(3) 2_666 ?
N1 C2 1.334(3) . ?
N1 C1 1.376(3) . ?
C22 B1 1.652(3) . ?
C22 C21 1.399(3) . ?
C22 C13 1.387(3) . ?
B1 C14 1.652(3) . ?
B1 C6 1.605(4) . ?
F2 C20 1.340(3) . ?
C21 C20 1.382(3) . ?
F3 C19 1.342(3) . ?
C20 C19 1.371(4) . ?
F4 C18 1.348(3) . ?
C19 C18 1.373(4) . ?
F5 C13 1.358(3) . ?
C18 C13 1.373(3) . ?
F6 C15 1.361(3) . ?
F7 C16 1.342(3) . ?
C14 C15 1.392(3) . ?
C14 C12 1.386(3) . ?
F8 C17 1.344(3) . ?
C15 C16 1.378(3) . ?
F9 C11 1.342(3) . ?
C16 C17 1.365(4) . ?
F10 C12 1.354(3) . ?
C17 C11 1.383(4) . ?
F11 C8 1.355(3) . ?
C11 C12 1.378(3) . ?
C6 C7 1.393(3) . ?
C6 C5 1.399(3) . ?
C7 H14 0.9300 . ?
C7 C8 1.377(4) . ?
C8 C9 1.377(4) . ?
C9 H16 0.9300 . ?
C9 C10 1.378(3) . ?
C10 H17 0.9300 . ?
C10 C5 1.407(3) . ?
C5 C4 1.467(3) . ?
C4 C3 1.381(3) . ?
C4 C1 1.436(3) 2_666 ?
C3 H20 0.9300 . ?
C3 C2 1.369(3) . ?
C2 H21 0.9300 . ?
C1 C1 1.424(4) 2_666 ?
C23 C24 1.491(4) . ?
C23 C25 1.489(5) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
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
F1 C21 C20 F2 1.5(3) . . . . ?
F1 C21 C20 C19 -177.2(2) . . . . ?
N1 B1 C14 C15 -95.2(3) 2_666 . . . ?
N1 B1 C14 C12 81.3(3) 2_666 . . . ?
N1 B1 C6 C7 -176.16(19) 2_666 . . . ?
N1 B1 C6 C5 6.8(3) 2_666 . . . ?
C22 B1 C14 C15 23.3(3) . . . . ?
C22 B1 C14 C12 -160.1(2) . . . . ?
C22 B1 C6 C7 66.6(3) . . . . ?
C22 B1 C6 C5 -110.5(2) . . . . ?
C22 C21 C20 F2 -178.8(2) . . . . ?
C22 C21 C20 C19 2.5(4) . . . . ?
B1 N1 C2 C3 -177.9(2) 2_666 . . . ?
B1 N1 C1 C4 -3.1(3) 2_666 . . 2_666 ?
B1 N1 C1 C1 178.0(2) 2_666 . . 2_666 ?
B1 C22 C21 F1 0.3(4) . . . . ?
B1 C22 C21 C20 -179.4(2) . . . . ?
B1 C22 C13 F5 -2.3(4) . . . . ?
B1 C22 C13 C18 178.1(2) . . . . ?
B1 C14 C15 F6 1.4(4) . . . . ?
B1 C14 C15 C16 180.0(2) . . . . ?
B1 C14 C12 F10 -2.6(3) . . . . ?
B1 C14 C12 C11 179.6(2) . . . . ?
B1 C6 C7 C8 -176.2(2) . . . . ?
B1 C6 C5 C10 176.0(2) . . . . ?
B1 C6 C5 C4 -5.0(3) . . . . ?
F2 C20 C19 F3 0.4(4) . . . . ?
F2 C20 C19 C18 -177.7(2) . . . . ?
C21 C22 B1 N1 -27.1(3) . . . 2_666 ?
C21 C22 B1 C14 -143.7(2) . . . . ?
C21 C22 B1 C6 91.2(3) . . . . ?
C21 C22 C13 F5 -177.3(2) . . . . ?
C21 C22 C13 C18 3.1(4) . . . . ?
C21 C20 C19 F3 179.0(2) . . . . ?
C21 C20 C19 C18 1.0(4) . . . . ?
F3 C19 C18 F4 -0.6(4) . . . . ?
F3 C19 C18 C13 179.8(2) . . . . ?
C20 C19 C18 F4 177.4(2) . . . . ?
C20 C19 C18 C13 -2.2(4) . . . . ?
F4 C18 C13 C22 -179.6(2) . . . . ?
F4 C18 C13 F5 0.8(4) . . . . ?
C19 C18 C13 C22 0.1(4) . . . . ?
C19 C18 C13 F5 -179.5(2) . . . . ?
F6 C15 C16 F7 -2.1(4) . . . . ?
F6 C15 C16 C17 177.2(2) . . . . ?
C13 C22 B1 N1 158.4(2) . . . 2_666 ?
C13 C22 B1 C14 41.8(3) . . . . ?
C13 C22 B1 C6 -83.3(3) . . . . ?
C13 C22 C21 F1 175.3(2) . . . . ?
C13 C22 C21 C20 -4.4(4) . . . . ?
F7 C16 C17 F8 -0.4(4) . . . . ?
F7 C16 C17 C11 179.0(2) . . . . ?
C14 B1 C6 C7 -60.3(3) . . . . ?
C14 B1 C6 C5 122.7(2) . . . . ?
C14 C15 C16 F7 179.2(2) . . . . ?
C14 C15 C16 C17 -1.5(4) . . . . ?
F8 C17 C11 F9 2.4(4) . . . . ?
F8 C17 C11 C12 179.5(2) . . . . ?
C15 C14 C12 F10 174.3(2) . . . . ?
C15 C14 C12 C11 -3.4(4) . . . . ?
C15 C16 C17 F8 -179.7(2) . . . . ?
C15 C16 C17 C11 -0.4(4) . . . . ?
F9 C11 C12 C14 179.0(2) . . . . ?
F9 C11 C12 F10 1.2(4) . . . . ?
C16 C17 C11 F9 -177.0(2) . . . . ?
C16 C17 C11 C12 0.2(4) . . . . ?
C17 C11 C12 C14 1.9(4) . . . . ?
C17 C11 C12 F10 -175.9(2) . . . . ?
F11 C8 C9 C10 178.4(2) . . . . ?
C12 C14 C15 F6 -175.4(2) . . . . ?
C12 C14 C15 C16 3.2(4) . . . . ?
C6 B1 C14 C15 145.8(2) . . . . ?
C6 B1 C14 C12 -37.7(3) . . . . ?
C6 C7 C8 F11 -179.7(2) . . . . ?
C6 C7 C8 C9 0.5(4) . . . . ?
C6 C5 C4 C3 -177.9(2) . . . . ?
C6 C5 C4 C1 1.4(3) . . . 2_666 ?
C7 C6 C5 C10 -1.1(3) . . . . ?
C7 C6 C5 C4 177.9(2) . . . . ?
C7 C8 C9 C10 -1.8(4) . . . . ?
C8 C9 C10 C5 1.6(4) . . . . ?
C9 C10 C5 C6 -0.3(3) . . . . ?
C9 C10 C5 C4 -179.2(2) . . . . ?
C10 C5 C4 C3 1.0(3) . . . . ?
C10 C5 C4 C1 -179.6(2) . . . 2_666 ?
C5 C6 C7 C8 1.0(3) . . . . ?
C5 C4 C3 C2 179.8(2) . . . . ?
C4 C3 C2 N1 0.1(4) . . . . ?
C2 N1 C1 C4 -179.5(2) . . . 2_666 ?
C2 N1 C1 C1 1.6(4) . . . 2_666 ?
C1 N1 C2 C3 -1.1(3) . . . . ?
C1 C4 C3 C2 0.4(3) 2_666 . . . ?
