# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_250527_8_hy1-70_2nd_autored
_database_code_depnum_ccdc_archive 'CCDC 2456352'
loop_
_audit_author_name
_audit_author_address
'Takeo Nakano'
;Graduate School of Science and Technology, Shinshu University
Japan
;
_audit_update_record             
;
2025-06-04 deposited with the CCDC.	2025-07-14 downloaded from the CCDC.
;
_audit_creation_date             2025-05-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H16 B2 F4 N4'
_chemical_formula_sum            'C26 H16 B2 F4 N4'
_chemical_formula_weight         482.05
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C26 H16 N4 B2 F4'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   8.10880(10)
_cell_length_b                   14.0314(2)
_cell_length_c                   36.9660(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4205.91(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6399
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      75.7260
_cell_measurement_theta_min      4.7810
_shelx_estimated_absorpt_T_max   0.962
_shelx_estimated_absorpt_T_min   0.733
_exptl_absorpt_coefficient_mu    0.973
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.63820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1968
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -1 2 0.1078
-2 1 -2 0.1324
0 0 -1 0.0335
0 0 1 0.0053
1 2 0 0.1739
-1 -2 0 0.1447
0 2 -1 0.1355
0 -2 1 0.1748

_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.04
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.9993 -1.0020 1.9961 0.3567 -0.1438 0.1244
-1.9993 1.0020 -1.9961 -0.3567 0.1438 -0.1244
0.0001 -0.0005 -0.9999 0.0050 0.0410 0.0053
-0.0001 0.0005 0.9999 -0.0050 -0.0410 -0.0053
0.9997 1.9968 -0.0125 0.0187 -0.0391 0.2867
-0.9997 -1.9968 0.0125 -0.0187 0.0391 -0.2867
0.0000 1.9982 -1.0084 -0.1267 0.0344 0.1806
-0.0000 -1.9982 1.0084 0.1267 -0.0344 -0.1806

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.931
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            15577
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.931
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.683
_diffrn_reflns_theta_min         4.785
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -115.00 -35.00   0.50    3.09    --  -47.79 -49.00 -70.00  160
  2  ω    -53.00 -28.00   0.50   12.36    --  -91.75  49.00  76.00   50
  3  ω   -138.00-112.00   0.50   12.36    --  -91.75-157.00  65.00   52
  4  ω    -98.00 -63.00   0.50   12.36    --  -91.75-157.00  65.00   70
  5  ω     44.00  93.00   0.50   12.36    --  106.90 -73.00 103.00   98
  6  ω    -76.00 -40.00   0.50    3.09    --  -47.79 125.00-120.00   72
  7  ω    -23.00   6.00   0.50    3.09    --  -47.79  19.00-120.00   58
  8  ω   -166.00 -79.00   0.50   12.36    --  -91.75 -19.00 120.00  174
  9  ω   -156.00-105.00   0.50   12.36    --  -91.75 -73.00 103.00  102
 10  ω     54.00 105.00   0.50   12.36    --  106.90 -99.00 -60.00  102
 11  ω     39.00  65.00   0.50   12.36    --  106.90 -57.00 -60.00   52
 12  ω     37.00  66.00   0.50   12.36    --  106.90 -57.00 120.00   58
 13  ω     40.00  66.00   0.50   12.36    --  106.90 -57.00 -90.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1503051000
_diffrn_orient_matrix_UB_12      -0.0659250000
_diffrn_orient_matrix_UB_13      -0.0049607000
_diffrn_orient_matrix_UB_21      -0.0326937000
_diffrn_orient_matrix_UB_22      -0.0034943000
_diffrn_orient_matrix_UB_23      -0.0410366000
_diffrn_orient_matrix_UB_31      0.1115212000
_diffrn_orient_matrix_UB_32      0.0877134000
_diffrn_orient_matrix_UB_33      -0.0053364000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3415
_reflns_number_total             4125
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.219
_refine_diff_density_min         -0.184
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4125
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0439
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0367P)²+2.9103P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1038
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C26(H26), C21(H21), C20(H20), C30(H30), C14(H14), C32(H32),
 C31(H31), C25(H25), C16(H16), C24(H24), C10(H10), C15(H15), C8(H8), C9(H9)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
F33 F 0.27345(14) 0.33224(8) 0.41808(3) 0.0310(3) Uani 1 1 d . . . . .
F35 F 0.59189(14) 0.62526(8) 0.20193(3) 0.0339(3) Uani 1 1 d . . . . .
F34 F 0.15769(13) 0.43602(8) 0.45758(3) 0.0327(3) Uani 1 1 d . . . . .
F36 F 0.85019(14) 0.68380(9) 0.20037(3) 0.0348(3) Uani 1 1 d . . . . .
N17 N 0.43330(19) 0.37307(11) 0.47200(4) 0.0257(3) Uani 1 1 d . . . . .
N19 N 0.40949(19) 0.48631(11) 0.42576(4) 0.0248(3) Uani 1 1 d . . . . .
N5 N 0.68713(18) 0.71356(10) 0.25491(4) 0.0248(3) Uani 1 1 d . . . . .
N7 N 0.6247(2) 0.79969(12) 0.20258(4) 0.0296(4) Uani 1 1 d . . . . .
C12 C 0.6309(2) 0.80010(12) 0.26487(5) 0.0244(4) Uani 1 1 d . . . . .
C27 C 0.6728(2) 0.56546(13) 0.42877(5) 0.0232(4) Uani 1 1 d . . . . .
C2 C 0.6740(2) 0.75727(13) 0.32801(5) 0.0241(4) Uani 1 1 d . . . . .
C28 C 0.5614(2) 0.49315(12) 0.44034(5) 0.0230(4) Uani 1 1 d . . . . .
C13 C 0.6213(2) 0.82557(13) 0.30195(5) 0.0243(4) Uani 1 1 d . . . . .
C29 C 0.5789(2) 0.42299(13) 0.46837(5) 0.0243(4) Uani 1 1 d . . . . .
C22 C 0.6148(2) 0.63290(13) 0.40296(5) 0.0241(4) Uani 1 1 d . . . . .
C3 C 0.7311(2) 0.66725(13) 0.31573(5) 0.0265(4) Uani 1 1 d . . . . .
H3 H 0.765981 0.620522 0.332685 0.032 Uiso 1 1 calc R U . . .
C4 C 0.7358(2) 0.64802(13) 0.27981(5) 0.0262(4) Uani 1 1 d . . . . .
H4 H 0.773978 0.587518 0.271865 0.031 Uiso 1 1 calc R U . . .
C26 C 0.8336(2) 0.57343(14) 0.44300(5) 0.0267(4) Uani 1 1 d . . . . .
H26 H 0.873337 0.527134 0.459612 0.032 Uiso 1 1 calc R U . . .
C1 C 0.6653(2) 0.78085(13) 0.36535(5) 0.0263(4) Uani 1 1 d . . . . .
C21 C 0.4521(2) 0.62236(13) 0.38887(5) 0.0265(4) Uani 1 1 d . . . . .
H21 H 0.411431 0.666405 0.371508 0.032 Uiso 1 1 calc R U . . .
C20 C 0.3553(2) 0.54944(13) 0.40028(5) 0.0265(4) Uani 1 1 d . . . . .
H20 H 0.247977 0.542151 0.390365 0.032 Uiso 1 1 calc R U . . .
C30 C 0.4502(3) 0.31288(13) 0.50053(5) 0.0285(4) Uani 1 1 d . . . . .
H30 H 0.368020 0.270234 0.509091 0.034 Uiso 1 1 calc R U . . .
C11 C 0.5899(2) 0.85355(13) 0.23290(5) 0.0277(4) Uani 1 1 d . . . . .
C14 C 0.5603(2) 0.91483(13) 0.31374(6) 0.0290(4) Uani 1 1 d . . . . .
H14 H 0.522880 0.960254 0.296540 0.035 Uiso 1 1 calc R U . . .
C32 C 0.6884(2) 0.39339(13) 0.49487(5) 0.0276(4) Uani 1 1 d . . . . .
H32 H 0.797636 0.415821 0.498629 0.033 Uiso 1 1 calc R U . . .
C23 C 0.7205(2) 0.70936(13) 0.39286(5) 0.0257(4) Uani 1 1 d . . . . .
C31 C 0.6052(3) 0.32350(14) 0.51505(5) 0.0299(4) Uani 1 1 d . . . . .
H31 H 0.648401 0.289565 0.535166 0.036 Uiso 1 1 calc R U . . .
C25 C 0.9320(2) 0.64758(14) 0.43292(5) 0.0298(4) Uani 1 1 d . . . . .
H25 H 1.040001 0.653110 0.442654 0.036 Uiso 1 1 calc R U . . .
C16 C 0.6076(3) 0.86867(14) 0.37569(6) 0.0317(4) Uani 1 1 d . . . . .
H16 H 0.603072 0.884426 0.400663 0.038 Uiso 1 1 calc R U . . .
C24 C 0.8743(2) 0.71585(14) 0.40818(5) 0.0302(4) Uani 1 1 d . . . . .
H24 H 0.943500 0.767890 0.401881 0.036 Uiso 1 1 calc R U . . .
C10 C 0.5322(3) 0.94198(14) 0.22221(6) 0.0343(5) Uani 1 1 d . . . . .
H10 H 0.498167 0.992830 0.237445 0.041 Uiso 1 1 calc R U . . .
C15 C 0.5551(3) 0.93579(13) 0.34980(6) 0.0328(5) Uani 1 1 d . . . . .
H15 H 0.515639 0.996233 0.357506 0.039 Uiso 1 1 calc R U . . .
C8 C 0.5921(3) 0.85356(15) 0.17303(6) 0.0363(5) Uani 1 1 d . . . . .
H8 H 0.606669 0.834198 0.148608 0.044 Uiso 1 1 calc R U . . .
C9 C 0.5343(3) 0.94118(16) 0.18423(6) 0.0407(5) Uani 1 1 d . . . . .
H9 H 0.501526 0.992141 0.168909 0.049 Uiso 1 1 calc R U . . .
B6 B 0.6919(3) 0.70005(16) 0.21191(6) 0.0280(5) Uani 1 1 d . . . . .
B18 B 0.3042(3) 0.40174(15) 0.44359(6) 0.0274(5) 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
F33 B18 1.379(3) . ?
F35 B6 1.376(2) . ?
F34 B18 1.382(3) . ?
F36 B6 1.372(2) . ?
N17 C29 1.379(2) . ?
N17 C30 1.358(2) . ?
N17 B18 1.537(3) . ?
N19 C28 1.348(2) . ?
N19 C20 1.366(2) . ?
N19 B18 1.603(3) . ?
N5 C12 1.348(2) . ?
N5 C4 1.360(2) . ?
N5 B6 1.601(3) . ?
N7 C11 1.381(3) . ?
N7 C8 1.354(3) . ?
N7 B6 1.540(3) . ?
C12 C13 1.419(3) . ?
C12 C11 1.439(3) . ?
C27 C28 1.424(3) . ?
C27 C22 1.424(3) . ?
C27 C26 1.411(3) . ?
C2 C13 1.424(3) . ?
C2 C3 1.420(3) . ?
C2 C1 1.421(3) . ?
C28 C29 1.436(3) . ?
C13 C14 1.415(3) . ?
C29 C32 1.386(3) . ?
C22 C21 1.426(3) . ?
C22 C23 1.423(3) . ?
C3 C4 1.356(3) . ?
C26 C25 1.363(3) . ?
C1 C23 1.497(3) . ?
C1 C16 1.372(3) . ?
C21 C20 1.357(3) . ?
C30 C31 1.375(3) . ?
C11 C10 1.384(3) . ?
C14 C15 1.366(3) . ?
C32 C31 1.405(3) . ?
C23 C24 1.372(3) . ?
C25 C24 1.405(3) . ?
C16 C15 1.409(3) . ?
C10 C9 1.404(3) . ?
C8 C9 1.380(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
C29 N17 B18 112.55(15) . . ?
C30 N17 C29 107.76(16) . . ?
C30 N17 B18 139.69(17) . . ?
C28 N19 C20 121.57(16) . . ?
C28 N19 B18 112.03(15) . . ?
C20 N19 B18 126.31(15) . . ?
C12 N5 C4 121.49(17) . . ?
C12 N5 B6 112.71(15) . . ?
C4 N5 B6 125.80(16) . . ?
C11 N7 B6 112.79(16) . . ?
C8 N7 C11 108.02(17) . . ?
C8 N7 B6 139.16(18) . . ?
N5 C12 C13 120.63(16) . . ?
N5 C12 C11 108.85(16) . . ?
C13 C12 C11 130.51(17) . . ?
C22 C27 C28 117.73(16) . . ?
C26 C27 C28 122.06(17) . . ?
C26 C27 C22 120.17(17) . . ?
C3 C2 C13 118.70(17) . . ?
C3 C2 C1 122.26(17) . . ?
C1 C2 C13 119.03(16) . . ?
N19 C28 C27 120.69(16) . . ?
N19 C28 C29 109.25(16) . . ?
C27 C28 C29 129.96(16) . . ?
C12 C13 C2 117.86(16) . . ?
C14 C13 C12 122.67(17) . . ?
C14 C13 C2 119.47(17) . . ?
N17 C29 C28 109.51(16) . . ?
N17 C29 C32 109.12(16) . . ?
C32 C29 C28 141.12(18) . . ?
C27 C22 C21 118.77(17) . . ?
C23 C22 C27 118.55(17) . . ?
C23 C22 C21 122.67(17) . . ?
C4 C3 C2 119.96(17) . . ?
C3 C4 N5 121.35(17) . . ?
C25 C26 C27 119.97(18) . . ?
C2 C1 C23 119.27(16) . . ?
C16 C1 C2 119.77(18) . . ?
C16 C1 C23 120.96(18) . . ?
C20 C21 C22 119.98(17) . . ?
C21 C20 N19 121.18(17) . . ?
N17 C30 C31 109.16(17) . . ?
N7 C11 C12 109.53(16) . . ?
N7 C11 C10 109.14(17) . . ?
C10 C11 C12 141.28(19) . . ?
C15 C14 C13 120.13(18) . . ?
C29 C32 C31 106.05(17) . . ?
C22 C23 C1 120.20(16) . . ?
C24 C23 C22 119.28(17) . . ?
C24 C23 C1 120.52(17) . . ?
C30 C31 C32 107.91(17) . . ?
C26 C25 C24 120.24(18) . . ?
C1 C16 C15 120.94(19) . . ?
C23 C24 C25 121.75(18) . . ?
C11 C10 C9 105.93(19) . . ?
C14 C15 C16 120.65(18) . . ?
N7 C8 C9 108.76(19) . . ?
C8 C9 C10 108.14(19) . . ?
F35 B6 N5 109.99(16) . . ?
F35 B6 N7 115.07(17) . . ?
F36 B6 F35 109.95(17) . . ?
F36 B6 N5 110.54(16) . . ?
F36 B6 N7 114.37(17) . . ?
N7 B6 N5 96.11(15) . . ?
F33 B18 F34 110.28(16) . . ?
F33 B18 N17 113.91(16) . . ?
F33 B18 N19 109.79(17) . . ?
F34 B18 N17 114.89(17) . . ?
F34 B18 N19 110.73(15) . . ?
N17 B18 N19 96.42(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.391
_oxdiff_exptl_absorpt_empirical_full_min 0.567
