# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_t
_audit_block_doi                 10.5517/ccdc.csd.cc28jk4j
_database_code_depnum_ccdc_archive 'CCDC 2101277'
loop_
_audit_author_name
_audit_author_address
'Xiaohui Lu'
;The Cambridge Crystallographic Data Centre
China
;
_audit_update_record             
;
2021-08-04 deposited with the CCDC.	2022-04-21 downloaded from the CCDC.
;
_audit_creation_date             2021-03-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_formula_moiety         'C37 H27 B F2 N2 O2'
_chemical_formula_sum            'C37 H27 B F2 N2 O2'
_chemical_formula_weight         580.46
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
B 0.00141 0.00067 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.193200007081
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z-1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z-1/2

_symmetry_Int_Tables_number      15
_cell_length_a                   35.867(3)
_cell_length_b                   8.0882(5)
_cell_length_c                   19.9608(15)
_cell_angle_alpha                90
_cell_angle_beta                 100.844(2)
_cell_angle_gamma                90
_cell_volume                     5687.2(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7917
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      24.40
_cell_measurement_theta_min      2.312
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1820 before and 0.0665 after correction. The Ratio of minimum to maximum transmission is 0.8824. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'metallic light yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.3557
_exptl_crystal_density_meas      .
_exptl_crystal_description       block
_exptl_crystal_F_000             2417.2490
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_diffrn_reflns_av_R_equivalents  0.0915
_diffrn_reflns_av_unetI/netI     0.1019
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32288
_diffrn_reflns_theta_full        24.9967
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.18
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.9990
_diffrn_measured_fraction_theta_max 0.9990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              41
_reflns_limit_h_min              -42
_reflns_limit_k_max              9
_reflns_limit_k_min              0
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                3201
_reflns_number_total             5015
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.4281
_refine_diff_density_min         -0.5351
_refine_diff_density_rms         0.1055
_refine_ls_d_res_high            0.8410
_refine_ls_d_res_low             9.3447
_refine_ls_goodness_of_fit_ref   1.0707
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    52
_refine_ls_number_parameters     398
_refine_ls_number_reflns         5015
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0536
_refine_ls_restrained_S_all      1.0705
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0703P)²+2.4097P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1431
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 O2, B1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C36(H36), C37(H37), C35(H35), C34(H34), C33(H33),
 C32(H32), C31(H31), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C28(H28),
  C27(H27), C26(H26), C25(H25), C24(H24), C5(H5), C4(H4), C3(H3), C2(H2),
 C10(H10)
3.b Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c)
;
_atom_sites_solution_primary     dual
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_refinement_flags_posn
_atom_site_refinement_flags_adp
F2 F 0.45766(5) 1.1361(2) 0.72741(10) 0.0692(6) Uani 1.000000 . .
O1 O 0.47186(6) 0.9467(2) 0.81508(10) 0.0488(6) Uani 1.000000 . .
N2 N 0.52517(5) 0.8423(2) 0.92931(10) 0.0281(5) Uani 1.000000 . .
F1 F 0.41477(6) 1.0880(3) 0.79243(10) 0.0805(6) Uani 1.000000 . .
O2 O 0.42470(6) 0.8924(2) 0.71165(10) 0.0575(6) Uani 1.000000 . U
N1 N 0.53828(6) 0.5832(2) 0.96648(11) 0.0386(6) Uani 1.000000 . .
C17 C 0.31856(6) 0.1782(3) 0.54010(12) 0.0240(6) Uani 1.000000 . .
C30 C 0.34155(6) 0.3500(3) 0.45197(12) 0.0242(6) Uani 1.000000 . .
C23 C 0.31089(6) 0.1444(3) 0.60934(12) 0.0258(6) Uani 1.000000 . .
C16 C 0.33899(6) 0.3088(3) 0.52392(12) 0.0251(6) Uani 1.000000 . .
C29 C 0.30324(7) 0.0479(3) 0.48885(12) 0.0238(6) Uani 1.000000 . .
C8 C 0.50395(6) 0.7360(3) 0.88108(12) 0.0247(6) Uani 1.000000 . .
C12 C 0.40707(7) 0.6247(3) 0.67254(12) 0.0263(6) Uani 1.000000 . .
C11 C 0.42996(7) 0.7346(3) 0.72284(12) 0.0272(6) Uani 1.000000 . .
C31 C 0.30980(7) 0.3472(3) 0.39951(12) 0.0277(6) Uani 1.000000 . .
C9 C 0.47697(7) 0.7884(3) 0.82381(12) 0.0266(6) Uani 1.000000 . .
C37 C 0.38396(7) 0.6905(3) 0.61442(12) 0.0288(6) Uani 1.000000 . .
C13 C 0.40728(7) 0.4533(3) 0.68113(13) 0.0312(6) Uani 1.000000 . .
C15 C 0.36177(6) 0.4179(3) 0.57673(12) 0.0255(6) Uani 1.000000 . .
C36 C 0.36202(7) 0.5889(3) 0.56804(13) 0.0296(6) Uani 1.000000 . .
C24 C 0.26544(7) 0.0022(3) 0.47737(12) 0.0293(6) Uani 1.000000 . .
C10 C 0.45581(7) 0.6802(3) 0.77715(13) 0.0288(6) Uani 1.000000 . .
C28 C 0.32746(7) -0.0410(3) 0.45550(13) 0.0311(6) Uani 1.000000 . .
C35 C 0.37598(7) 0.3982(3) 0.43533(14) 0.0328(6) Uani 1.000000 . .
C1 C 0.54519(6) 0.7446(3) 0.98012(12) 0.0296(6) Uani 1.000000 . .
C14 C 0.38535(7) 0.3526(3) 0.63424(13) 0.0302(6) Uani 1.000000 . .
C22 C 0.31390(7) -0.0174(3) 0.63415(13) 0.0345(7) Uani 1.000000 . .
C25 C 0.25189(8) -0.1259(3) 0.43379(13) 0.0342(7) Uani 1.000000 . .
C7 C 0.51377(7) 0.5773(3) 0.90722(14) 0.0333(6) Uani 1.000000 . .
C18 C 0.29958(7) 0.2652(3) 0.65093(13) 0.0355(7) Uani 1.000000 . .
C32 C 0.31248(8) 0.3872(3) 0.33363(13) 0.0336(6) Uani 1.000000 . .
C27 C 0.31447(8) -0.1714(3) 0.41318(13) 0.0372(7) Uani 1.000000 . .
C2 C 0.56802(7) 0.8195(3) 1.03669(13) 0.0352(7) Uani 1.000000 . .
C26 C 0.27653(8) -0.2141(3) 0.40221(13) 0.0368(7) Uani 1.000000 . .
C3 C 0.57002(7) 0.9861(3) 1.04020(14) 0.0401(7) Uani 1.000000 . .
C33 C 0.34693(9) 0.4309(3) 0.31787(14) 0.0421(7) Uani 1.000000 . .
C34 C 0.37850(8) 0.4362(3) 0.36901(15) 0.0423(7) Uani 1.000000 . .
C5 C 0.52850(8) 1.0111(3) 0.93187(15) 0.0468(8) Uani 1.000000 . .
C21 C 0.30728(9) -0.0552(4) 0.69793(15) 0.0497(8) Uani 1.000000 . .
C19 C 0.29224(8) 0.2247(4) 0.71450(14) 0.0480(8) Uani 1.000000 . .
C4 C 0.55040(8) 1.0814(3) 0.98684(15) 0.0500(8) Uani 1.000000 . .
C20 C 0.29609(9) 0.0654(4) 0.73802(15) 0.0550(9) Uani 1.000000 . .
C6 C 0.50049(9) 0.4140(3) 0.87727(16) 0.0576(10) Uani 1.000000 . .
B1 B 0.44171(11) 1.0180(4) 0.76141(19) 0.0488(9) Uani 1.000000 . U
H13 H 0.42255(7) 0.4067(3) 0.71928(13) 0.0374(8) Uiso 1.000000 R .
H14 H 0.38620(7) 0.2387(3) 0.64090(13) 0.0362(7) Uiso 1.000000 R .
H36 H 0.34688(7) 0.6352(3) 0.52970(13) 0.0356(7) Uiso 1.000000 R .
H37 H 0.38347(7) 0.8041(3) 0.60719(12) 0.0345(7) Uiso 1.000000 R .
H35 H 0.39753(7) 0.4049(3) 0.46940(14) 0.0394(8) Uiso 1.000000 R .
H34 H 0.40185(8) 0.4658(3) 0.35872(15) 0.0508(9) Uiso 1.000000 R .
H33 H 0.34882(9) 0.4564(3) 0.27320(14) 0.0505(9) Uiso 1.000000 R .
H32 H 0.29090(8) 0.3848(3) 0.29951(13) 0.0403(8) Uiso 1.000000 R .
H31 H 0.28633(7) 0.3177(3) 0.40928(12) 0.0332(7) Uiso 1.000000 R .
H18 H 0.29694(7) 0.3741(3) 0.63586(13) 0.0426(8) Uiso 1.000000 R .
H19 H 0.28459(8) 0.3068(4) 0.74163(14) 0.0576(9) Uiso 1.000000 R .
H20 H 0.29113(9) 0.0394(4) 0.78087(15) 0.0660(11) Uiso 1.000000 R .
H21 H 0.31041(9) -0.1632(4) 0.71397(15) 0.0596(10) Uiso 1.000000 R .
H22 H 0.32055(7) -0.1014(3) 0.60685(13) 0.0414(8) Uiso 1.000000 R .
H28 H 0.35296(7) -0.0118(3) 0.46193(13) 0.0373(8) Uiso 1.000000 R .
H27 H 0.33122(8) -0.2306(3) 0.39199(13) 0.0446(8) Uiso 1.000000 R .
H26 H 0.26766(8) -0.3020(3) 0.37361(13) 0.0442(8) Uiso 1.000000 R .
H25 H 0.22621(8) -0.1526(3) 0.42580(13) 0.0410(8) Uiso 1.000000 R .
H24 H 0.24873(7) 0.0591(3) 0.49950(12) 0.0352(7) Uiso 1.000000 R .
H5 H 0.51587(8) 1.0761(3) 0.89630(15) 0.0561(9) Uiso 1.000000 R .
H4 H 0.55245(8) 1.1960(3) 0.98917(15) 0.0600(10) Uiso 1.000000 R .
H3 H 0.58445(7) 1.0371(3) 1.07816(14) 0.0481(8) Uiso 1.000000 R .
H2 H 0.58166(7) 0.7551(3) 1.07147(13) 0.0422(8) Uiso 1.000000 R .
H10 H 0.45949(7) 0.5670(3) 0.78337(13) 0.0346(7) Uiso 1.000000 R .
H6a H 0.5083(5) 0.4008(11) 0.8341(5) 0.0864(15) Uiso 1.000000 GR .
H6b H 0.5113(5) 0.3273(3) 0.9076(5) 0.0864(15) Uiso 1.000000 GR .
H6c H 0.47330(10) 0.4088(10) 0.8707(10) 0.0864(15) Uiso 1.000000 GR .


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
F2 B1 1.358(4) . ?
O1 C9 1.300(3) . ?
O1 B1 1.488(4) . ?
N2 C8 1.404(3) . ?
N2 C1 1.376(3) . ?
N2 C5 1.371(3) . ?
F1 B1 1.364(4) . ?
O2 C11 1.304(3) . ?
O2 B1 1.471(4) . ?
N1 C1 1.347(3) . ?
N1 C7 1.335(3) . ?
C17 C23 1.484(3) . ?
C17 C16 1.359(3) . ?
C17 C29 1.499(3) . ?
C30 C16 1.494(3) . ?
C30 C31 1.395(3) . ?
C30 C35 1.394(3) . ?
C23 C22 1.396(3) . ?
C23 C18 1.391(3) . ?
C16 C15 1.495(3) . ?
C29 C24 1.382(3) . ?
C29 C28 1.390(3) . ?
C8 C9 1.417(3) . ?
C8 C7 1.405(3) . ?
C12 C11 1.470(3) . ?
C12 C37 1.398(3) . ?
C12 C13 1.396(3) . ?
C11 C10 1.360(3) . ?
C31 C32 1.375(3) . ?
C31 H31 0.9300 . ?
C9 C10 1.394(3) . ?
C37 C36 1.370(3) . ?
C37 H37 0.9300 . ?
C13 C14 1.372(3) . ?
C13 H13 0.9300 . ?
C15 C36 1.394(3) . ?
C15 C14 1.395(3) . ?
C36 H36 0.9300 . ?
C24 C25 1.381(3) . ?
C24 H24 0.9300 . ?
C10 H10 0.9300 . ?
C28 C27 1.376(3) . ?
C28 H28 0.9300 . ?
C35 C34 1.379(4) . ?
C35 H35 0.9300 . ?
C1 C2 1.402(3) . ?
C14 H14 0.9300 . ?
C22 C21 1.373(4) . ?
C22 H22 0.9300 . ?
C25 C26 1.377(4) . ?
C25 H25 0.9300 . ?
C7 C6 1.490(3) . ?
C18 C19 1.383(4) . ?
C18 H18 0.9300 . ?
C32 C33 1.377(4) . ?
C32 H32 0.9300 . ?
C27 C26 1.381(4) . ?
C27 H27 0.9300 . ?
C2 C3 1.350(4) . ?
C2 H2 0.9300 . ?
C26 H26 0.9300 . ?
C3 C4 1.393(4) . ?
C3 H3 0.9300 . ?
C33 C34 1.375(4) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C5 C4 1.349(4) . ?
C5 H5 0.9300 . ?
C21 C20 1.369(4) . ?
C21 H21 0.9300 . ?
C19 C20 1.369(4) . ?
C19 H19 0.9300 . ?
C4 H4 0.9300 . ?
C20 H20 0.9300 . ?
C6 H6a 0.9600 . ?
C6 H6b 0.9600 . ?
C6 H6c 0.9600 . ?

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
B1 O1 C9 122.9(2) . . ?
C1 N2 C8 107.11(18) . . ?
C5 N2 C8 131.9(2) . . ?
C5 N2 C1 121.0(2) . . ?
B1 O2 C11 122.2(2) . . ?
C7 N1 C1 106.2(2) . . ?
C16 C17 C23 124.6(2) . . ?
C29 C17 C23 113.42(19) . . ?
C29 C17 C16 122.0(2) . . ?
C31 C30 C16 121.9(2) . . ?
C35 C30 C16 120.6(2) . . ?
C35 C30 C31 117.4(2) . . ?
C22 C23 C17 119.2(2) . . ?
C18 C23 C17 123.5(2) . . ?
C18 C23 C22 117.3(2) . . ?
C30 C16 C17 122.4(2) . . ?
C15 C16 C17 122.6(2) . . ?
C15 C16 C30 114.97(19) . . ?
C24 C29 C17 121.6(2) . . ?
C28 C29 C17 120.6(2) . . ?
C28 C29 C24 117.7(2) . . ?
C9 C8 N2 124.7(2) . . ?
C7 C8 N2 103.83(19) . . ?
C7 C8 C9 131.2(2) . . ?
C37 C12 C11 120.3(2) . . ?
C13 C12 C11 121.8(2) . . ?
C13 C12 C37 117.9(2) . . ?
C12 C11 O2 115.5(2) . . ?
C10 C11 O2 120.5(2) . . ?
C10 C11 C12 123.9(2) . . ?
C32 C31 C30 121.3(2) . . ?
H31 C31 C30 119.33(14) . . ?
H31 C31 C32 119.33(15) . . ?
C8 C9 O1 117.4(2) . . ?
C10 C9 O1 118.9(2) . . ?
C10 C9 C8 123.7(2) . . ?
C36 C37 C12 120.5(2) . . ?
H37 C37 C12 119.75(13) . . ?
H37 C37 C36 119.75(14) . . ?
C14 C13 C12 121.1(2) . . ?
H13 C13 C12 119.45(14) . . ?
H13 C13 C14 119.45(14) . . ?
C36 C15 C16 120.9(2) . . ?
C14 C15 C16 121.5(2) . . ?
C14 C15 C36 117.5(2) . . ?
C15 C36 C37 121.8(2) . . ?
H36 C36 C37 119.09(14) . . ?
H36 C36 C15 119.09(14) . . ?
C25 C24 C29 121.5(2) . . ?
H24 C24 C29 119.24(14) . . ?
H24 C24 C25 119.24(15) . . ?
C9 C10 C11 122.2(2) . . ?
H10 C10 C11 118.89(14) . . ?
H10 C10 C9 118.89(14) . . ?
C27 C28 C29 121.4(2) . . ?
H28 C28 C29 119.32(14) . . ?
H28 C28 C27 119.32(16) . . ?
C34 C35 C30 120.8(2) . . ?
H35 C35 C30 119.58(15) . . ?
H35 C35 C34 119.58(16) . . ?
N1 C1 N2 110.9(2) . . ?
C2 C1 N2 119.3(2) . . ?
C2 C1 N1 129.7(2) . . ?
C15 C14 C13 121.2(2) . . ?
H14 C14 C13 119.42(14) . . ?
H14 C14 C15 119.42(13) . . ?
C21 C22 C23 121.5(3) . . ?
H22 C22 C23 119.25(15) . . ?
H22 C22 C21 119.25(17) . . ?
C26 C25 C24 119.8(2) . . ?
H25 C25 C24 120.11(15) . . ?
H25 C25 C26 120.11(15) . . ?
C8 C7 N1 112.0(2) . . ?
C6 C7 N1 119.6(2) . . ?
C6 C7 C8 128.4(2) . . ?
C19 C18 C23 120.6(2) . . ?
H18 C18 C23 119.72(15) . . ?
H18 C18 C19 119.72(17) . . ?
C33 C32 C31 120.4(2) . . ?
H32 C32 C31 119.80(15) . . ?
H32 C32 C33 119.80(17) . . ?
C26 C27 C28 119.9(2) . . ?
H27 C27 C28 120.05(16) . . ?
H27 C27 C26 120.05(15) . . ?
C3 C2 C1 119.4(2) . . ?
H2 C2 C1 120.31(15) . . ?
H2 C2 C3 120.31(16) . . ?
C27 C26 C25 119.7(2) . . ?
H26 C26 C25 120.13(15) . . ?
H26 C26 C27 120.13(15) . . ?
C4 C3 C2 119.9(2) . . ?
H3 C3 C2 120.06(16) . . ?
H3 C3 C4 120.06(16) . . ?
C34 C33 C32 119.2(3) . . ?
H33 C33 C32 120.41(17) . . ?
H33 C33 C34 120.41(16) . . ?
C33 C34 C35 120.8(3) . . ?
H34 C34 C35 119.60(16) . . ?
H34 C34 C33 119.60(16) . . ?
C4 C5 N2 118.9(2) . . ?
H5 C5 N2 120.54(14) . . ?
H5 C5 C4 120.54(16) . . ?
C20 C21 C22 120.3(3) . . ?
H21 C21 C22 119.87(17) . . ?
H21 C21 C20 119.87(17) . . ?
C20 C19 C18 120.9(3) . . ?
H19 C19 C18 119.56(17) . . ?
H19 C19 C20 119.56(18) . . ?
C5 C4 C3 121.4(3) . . ?
H4 C4 C3 119.29(16) . . ?
H4 C4 C5 119.29(16) . . ?
C19 C20 C21 119.5(3) . . ?
H20 C20 C21 120.27(17) . . ?
H20 C20 C19 120.27(18) . . ?
H6a C6 C7 109.5 . . ?
H6b C6 C7 109.5 . . ?
H6b C6 H6a 109.5 . . ?
H6c C6 C7 109.5 . . ?
H6c C6 H6a 109.5 . . ?
H6c C6 H6b 109.5 . . ?
O1 B1 F2 108.4(3) . . ?
F1 B1 F2 109.6(3) . . ?
F1 B1 O1 108.4(3) . . ?
O2 B1 F2 108.0(3) . . ?
O2 B1 O1 111.8(2) . . ?
O2 B1 F1 110.7(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_restr_U_rigid_atom_site_label_1
_restr_U_rigid_atom_site_label_2
_restr_U_rigid_target_weight_param
_restr_U_rigid_U_parallel
_restr_U_rigid_diff
O2 B1 0.0100 0.0317 -0.0144

