# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_ggothersolvent_auto
_database_code_depnum_ccdc_archive 'CCDC 2279239'
loop_
_audit_author_name
_audit_author_address
'Lars Ohrstrom'
;Chalmers University of Technology
Sweden
;
_audit_update_record             
;
2023-07-12 deposited with the CCDC.	2023-10-23 downloaded from the CCDC.
;
_audit_creation_date             2023-07-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C11 H14 B F2 N O'
_chemical_formula_sum            'C11 H14 B F2 N O'
_chemical_formula_weight         225.04
_chemical_absolute_configuration .
_chemical_melting_point          ?
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'
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'
F F 0.0727 0.0534 '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           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   6.4333(2)
_cell_length_b                   11.2099(3)
_cell_length_c                   15.6487(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1128.53(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4281
_cell_measurement_temperature    101(3)
_cell_measurement_theta_max      75.2860
_cell_measurement_theta_min      4.8470
_shelx_estimated_absorpt_T_max   0.982
_shelx_estimated_absorpt_T_min   0.801
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.57a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0851
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10669
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.623
_diffrn_reflns_theta_min         4.853
_diffrn_ambient_temperature      101(3)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -123.00 -29.00   0.50    2.21    --  -43.19 -16.00 -23.00  188
  2  ω     15.00  88.00   0.50    2.21    --   43.19-118.00-110.00  146
  3  ω     33.00 123.00   0.50    2.21    --   43.19  16.00 146.00  180
  4  ω   -136.00 -90.00   0.50    8.82    -- -104.50 -16.00 -23.00   92
  5  ω     33.00  97.00   0.50    8.82    --  108.62-115.00 156.00  128
  6  ω     94.00 143.00   0.50    8.82    --  108.62  16.00 146.00   98
  7  ω     33.00  97.00   0.50    8.82    --  108.62-118.00-110.00  128
  8  ω    -15.00  34.00   0.50    2.21    --  -43.19  38.00-180.00   98
  9  ω    -72.00 -30.00   0.50    8.82    -- -104.50  77.00   0.00   84
 10  ω   -132.00 -89.00   0.50    8.82    -- -104.50 -15.00-180.00   86
 11  ω   -174.00 -91.00   0.50    8.82    -- -104.50 -52.00   4.66  166
 12  ω    -72.00 -30.00   0.50    8.82    -- -104.50  77.00-120.00   84
 13  ω   -132.00 -89.00   0.50    8.82    -- -104.50 -15.00-150.00   86
 14  ω    -72.00 -30.00   0.50    8.82    -- -104.50  77.00  60.00   84
 15  ω   -101.00 -31.00   0.50    8.82    -- -104.50 125.00-180.00  140
 16  ω   -132.00 -89.00   0.50    8.82    -- -104.50 -15.00 -90.00   86
 17  ω    -72.00 -30.00   0.50    8.82    -- -104.50  77.00  90.00   84
 18  ω    -92.00 -31.00   0.50    8.82    -- -104.50  92.00-107.02  122
 19  ω     34.00  92.00   0.50    8.82    --  108.62 -95.00 -60.00  116
 20  ω     35.00  79.00   0.50    8.82    --  108.62 -77.00 -60.00   88
 21  ω    -54.00 -28.00   0.50    2.21    --  -43.19 -59.00  24.01   52
 22  ω    -54.00 -28.00   0.50    2.21    --  -43.19 -57.00 144.93   52
 23  ω    -54.00 -28.00   0.50    2.21    --  -43.19 -58.00 -59.78   52
 24  ω    -54.00 -28.00   0.50    2.21    --  -43.19 -56.00-142.05   52
 25  ω    -54.00 -28.00   0.50    2.21    --  -43.19 -59.00 -99.43   52
 26  ω    -15.00  34.00   0.50    2.21    --  -43.19  38.00  90.00   98
 27  ω   -132.00 -91.00   0.50    8.82    -- -104.50 -15.00 -60.00   82
 28  ω   -132.00 -89.00   0.50    8.82    -- -104.50 -15.00-120.00   86
 29  ω   -132.00 -89.00   0.50    8.82    -- -104.50 -15.00 150.00   86
 30  ω     94.00 139.00   0.50    8.82    --  108.62  15.00  90.00   90
 31  ω     94.00 139.00   0.50    8.82    --  108.62  15.00 120.00   90
 32  ω     94.00 139.00   0.50    8.82    --  108.62  15.00  60.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.679
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.949
_reflns_number_gt                1972
_reflns_number_total             2261
_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 1.171.42.57a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.57a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.57a (Rigaku OD, 2022)'
_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    ?
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.064
_refine_ls_abs_structure_details 
;
 Flack x determined using 601 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         2261
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0921
_refine_ls_restrained_S_all      1.066
_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)+(0.0681P)²+2.5060P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2193
_refine_ls_wR_factor_ref         0.2244
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C7-C1A \\sim C7-C1B
 with sigma of 0.02
 C7-C2A \\sim C7-C2B
 with sigma of 0.02
 C7-C3A \\sim C7-C3B
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C1B, C2B, C3B, C7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1A, C2A, C3A, C7
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C1B)=Sof(H1BA)=Sof(H1BB)=Sof(H1BC)=Sof(C2B)=Sof(H2BA)=Sof(H2BB)=Sof(H2BC)=
 Sof(C3B)=Sof(H3BA)=Sof(H3BB)=Sof(H3BC)=1-FVAR(1)
 Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(H1AC)=Sof(C2A)=Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=
 Sof(C3A)=Sof(H3AA)=Sof(H3AB)=Sof(H3AC)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 N1(H1), C11(H11), C12(H12), C13(H13), C14(H14)
5.b Idealised Me refined as rotating group:
 C1A(H1AA,H1AB,H1AC), C1B(H1BA,H1BB,H1BC), C2A(H2AA,H2AB,H2AC), C2B(H2BA,H2BB,
 H2BC), C3A(H3AA,H3AB,H3AC), C3B(H3BA,H3BB,H3BC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
F1 F -0.0088(6) 0.3192(3) 0.4422(3) 0.0612(13) Uani 1 1 d . . . . .
F2 F -0.0067(7) 0.4520(4) 0.3339(3) 0.0703(14) Uani 1 1 d . . . . .
O1 O 0.2447(7) 0.3023(4) 0.3342(4) 0.0582(15) Uani 1 1 d . . . . .
N1 N 0.5501(7) 0.3363(5) 0.3997(3) 0.0355(11) Uani 1 1 d . . . . .
H1 H 0.676150 0.312807 0.406716 0.043 Uiso 1 1 calc R U . . .
C1A C 0.446(3) 0.2198(12) 0.1987(8) 0.052(4) Uani 0.537(16) 1 d D . P A 1
H1AA H 0.296679 0.216499 0.198639 0.079 Uiso 0.537(16) 1 calc R U P A 1
H1AB H 0.499259 0.166051 0.156284 0.079 Uiso 0.537(16) 1 calc R U P A 1
H1AC H 0.490186 0.299586 0.185805 0.079 Uiso 0.537(16) 1 calc R U P A 1
C1B C 0.356(4) 0.099(2) 0.2557(14) 0.076(7) Uani 0.463(16) 1 d D . P A 2
H1BA H 0.347072 0.031979 0.293496 0.115 Uiso 0.463(16) 1 calc R U P A 2
H1BB H 0.388212 0.072055 0.199021 0.115 Uiso 0.463(16) 1 calc R U P A 2
H1BC H 0.225448 0.140655 0.255088 0.115 Uiso 0.463(16) 1 calc R U P A 2
C2A C 0.425(2) 0.0647(11) 0.3100(12) 0.051(4) Uani 0.537(16) 1 d D . P A 1
H2AA H 0.498393 0.028888 0.356838 0.077 Uiso 0.537(16) 1 calc R U P A 1
H2AB H 0.428814 0.012224 0.261574 0.077 Uiso 0.537(16) 1 calc R U P A 1
H2AC H 0.282913 0.078384 0.326320 0.077 Uiso 0.537(16) 1 calc R U P A 1
C2B C 0.701(4) 0.1111(17) 0.3318(12) 0.067(6) Uani 0.463(16) 1 d D . P A 2
H2BA H 0.808759 0.164324 0.350699 0.101 Uiso 0.463(16) 1 calc R U P A 2
H2BB H 0.758718 0.054313 0.292370 0.101 Uiso 0.463(16) 1 calc R U P A 2
H2BC H 0.643949 0.069808 0.380043 0.101 Uiso 0.463(16) 1 calc R U P A 2
C3A C 0.760(2) 0.1757(17) 0.2950(13) 0.065(5) Uani 0.537(16) 1 d D . P A 1
H3AA H 0.820026 0.253480 0.287512 0.097 Uiso 0.537(16) 1 calc R U P A 1
H3AB H 0.813807 0.122695 0.252129 0.097 Uiso 0.537(16) 1 calc R U P A 1
H3AC H 0.795431 0.145815 0.350641 0.097 Uiso 0.537(16) 1 calc R U P A 1
C3B C 0.624(3) 0.2437(15) 0.2081(10) 0.051(5) Uani 0.463(16) 1 d D . P A 2
H3BA H 0.518204 0.286762 0.177622 0.077 Uiso 0.463(16) 1 calc R U P A 2
H3BB H 0.682667 0.183930 0.171441 0.077 Uiso 0.463(16) 1 calc R U P A 2
H3BC H 0.730677 0.297920 0.226017 0.077 Uiso 0.463(16) 1 calc R U P A 2
C7 C 0.5274(11) 0.1837(5) 0.2867(4) 0.0438(15) Uani 1 1 d D . . . .
C8 C 0.4371(9) 0.2790(5) 0.3452(4) 0.0318(12) Uani 1 1 d . . . . .
C9 C 0.4813(10) 0.4358(5) 0.4491(4) 0.0383(13) Uani 1 1 d . . . . .
C10 C 0.2748(11) 0.4700(5) 0.4427(5) 0.0474(18) Uani 1 1 d . . . . .
C11 C 0.2198(14) 0.5739(7) 0.4881(7) 0.075(3) Uani 1 1 d . . . . .
H11 H 0.082956 0.600263 0.484959 0.090 Uiso 1 1 calc R U . . .
C12 C 0.3540(17) 0.6363(7) 0.5353(7) 0.084(4) Uani 1 1 d . . . . .
H12 H 0.311675 0.705874 0.562569 0.100 Uiso 1 1 calc R U . . .
C13 C 0.5560(17) 0.5968(8) 0.5432(6) 0.075(3) Uani 1 1 d . . . . .
H13 H 0.648929 0.637790 0.578000 0.090 Uiso 1 1 calc R U . . .
C14 C 0.6207(13) 0.4960(8) 0.4994(5) 0.058(2) Uani 1 1 d . . . . .
H14 H 0.757241 0.469467 0.504057 0.070 Uiso 1 1 calc R U . . .
B1 B 0.1187(12) 0.3902(8) 0.3899(7) 0.055(2) 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
F1 B1 1.406(9) . ?
F2 B1 1.377(10) . ?
O1 C8 1.277(7) . ?
O1 B1 1.545(11) . ?
N1 H1 0.8600 . ?
N1 C8 1.292(8) . ?
N1 C9 1.427(8) . ?
C1A H1AA 0.9600 . ?
C1A H1AB 0.9600 . ?
C1A H1AC 0.9600 . ?
C1A C7 1.529(14) . ?
C1B H1BA 0.9600 . ?
C1B H1BB 0.9600 . ?
C1B H1BC 0.9600 . ?
C1B C7 1.532(17) . ?
C2A H2AA 0.9600 . ?
C2A H2AB 0.9600 . ?
C2A H2AC 0.9600 . ?
C2A C7 1.533(13) . ?
C2B H2BA 0.9600 . ?
C2B H2BB 0.9600 . ?
C2B H2BC 0.9600 . ?
C2B C7 1.553(17) . ?
C3A H3AA 0.9600 . ?
C3A H3AB 0.9600 . ?
C3A H3AC 0.9600 . ?
C3A C7 1.507(15) . ?
C3B H3BA 0.9600 . ?
C3B H3BB 0.9600 . ?
C3B H3BC 0.9600 . ?
C3B C7 1.532(14) . ?
C7 C8 1.522(9) . ?
C9 C10 1.387(9) . ?
C9 C14 1.370(10) . ?
C10 C11 1.408(11) . ?
C10 B1 1.579(13) . ?
C11 H11 0.9300 . ?
C11 C12 1.335(14) . ?
C12 H12 0.9300 . ?
C12 C13 1.379(15) . ?
C13 H13 0.9300 . ?
C13 C14 1.386(11) . ?
C14 H14 0.9300 . ?

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
C8 O1 B1 124.3(6) . . ?
C8 N1 H1 117.5 . . ?
C8 N1 C9 124.9(5) . . ?
C9 N1 H1 117.5 . . ?
H1AA C1A H1AB 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
C7 C1A H1AA 109.5 . . ?
C7 C1A H1AB 109.5 . . ?
C7 C1A H1AC 109.5 . . ?
H1BA C1B H1BB 109.5 . . ?
H1BA C1B H1BC 109.5 . . ?
H1BB C1B H1BC 109.5 . . ?
C7 C1B H1BA 109.5 . . ?
C7 C1B H1BB 109.5 . . ?
C7 C1B H1BC 109.5 . . ?
H2AA C2A H2AB 109.5 . . ?
H2AA C2A H2AC 109.5 . . ?
H2AB C2A H2AC 109.5 . . ?
C7 C2A H2AA 109.5 . . ?
C7 C2A H2AB 109.5 . . ?
C7 C2A H2AC 109.5 . . ?
H2BA C2B H2BB 109.5 . . ?
H2BA C2B H2BC 109.5 . . ?
H2BB C2B H2BC 109.5 . . ?
C7 C2B H2BA 109.5 . . ?
C7 C2B H2BB 109.5 . . ?
C7 C2B H2BC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
C7 C3A H3AA 109.5 . . ?
C7 C3A H3AB 109.5 . . ?
C7 C3A H3AC 109.5 . . ?
H3BA C3B H3BB 109.5 . . ?
H3BA C3B H3BC 109.5 . . ?
H3BB C3B H3BC 109.5 . . ?
C7 C3B H3BA 109.5 . . ?
C7 C3B H3BB 109.5 . . ?
C7 C3B H3BC 109.5 . . ?
C1A C7 C2A 107.3(10) . . ?
C1B C7 C2B 109.8(14) . . ?
C3A C7 C1A 115.8(11) . . ?
C3A C7 C2A 110.8(11) . . ?
C3A C7 C8 111.7(8) . . ?
C3B C7 C1B 107.9(12) . . ?
C3B C7 C2B 107.6(12) . . ?
C8 C7 C1A 103.0(7) . . ?
C8 C7 C1B 110.5(9) . . ?
C8 C7 C2A 107.6(8) . . ?
C8 C7 C2B 111.7(8) . . ?
C8 C7 C3B 109.2(8) . . ?
O1 C8 N1 122.1(6) . . ?
O1 C8 C7 115.7(6) . . ?
N1 C8 C7 122.1(5) . . ?
C10 C9 N1 118.3(6) . . ?
C14 C9 N1 119.5(6) . . ?
C14 C9 C10 122.2(7) . . ?
C9 C10 C11 115.7(7) . . ?
C9 C10 B1 119.4(6) . . ?
C11 C10 B1 124.9(7) . . ?
C10 C11 H11 118.3 . . ?
C12 C11 C10 123.4(9) . . ?
C12 C11 H11 118.3 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.4(8) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.0(9) . . ?
C14 C13 H13 120.0 . . ?
C9 C14 C13 119.3(8) . . ?
C9 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
F1 B1 O1 105.8(6) . . ?
F1 B1 C10 112.8(8) . . ?
F2 B1 F1 108.3(6) . . ?
F2 B1 O1 105.6(8) . . ?
F2 B1 C10 114.9(6) . . ?
O1 B1 C10 108.8(6) . . ?

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
N1 C9 C10 C11 -175.5(6) . . . . ?
N1 C9 C10 B1 6.9(10) . . . . ?
N1 C9 C14 C13 176.1(7) . . . . ?
C1A C7 C8 O1 46.4(9) . . . . ?
C1A C7 C8 N1 -130.6(8) . . . . ?
C1B C7 C8 O1 -25.1(14) . . . . ?
C1B C7 C8 N1 157.9(12) . . . . ?
C2A C7 C8 O1 -66.8(10) . . . . ?
C2A C7 C8 N1 116.2(9) . . . . ?
C2B C7 C8 O1 -147.5(11) . . . . ?
C2B C7 C8 N1 35.5(12) . . . . ?
C3A C7 C8 O1 171.3(11) . . . . ?
C3A C7 C8 N1 -5.6(12) . . . . ?
C3B C7 C8 O1 93.5(10) . . . . ?
C3B C7 C8 N1 -83.5(10) . . . . ?
C8 O1 B1 F1 -105.9(8) . . . . ?
C8 O1 B1 F2 139.4(7) . . . . ?
C8 O1 B1 C10 15.6(10) . . . . ?
C8 N1 C9 C10 4.1(9) . . . . ?
C8 N1 C9 C14 -174.3(6) . . . . ?
C9 N1 C8 O1 -4.5(10) . . . . ?
C9 N1 C8 C7 172.3(5) . . . . ?
C9 C10 C11 C12 -0.6(13) . . . . ?
C9 C10 B1 F1 102.2(8) . . . . ?
C9 C10 B1 F2 -133.1(7) . . . . ?
C9 C10 B1 O1 -14.9(10) . . . . ?
C10 C9 C14 C13 -2.2(11) . . . . ?
C10 C11 C12 C13 -2.2(15) . . . . ?
C11 C10 B1 F1 -75.1(9) . . . . ?
C11 C10 B1 F2 49.6(12) . . . . ?
C11 C10 B1 O1 167.7(7) . . . . ?
C11 C12 C13 C14 2.8(14) . . . . ?
C12 C13 C14 C9 -0.7(13) . . . . ?
C14 C9 C10 C11 2.8(10) . . . . ?
C14 C9 C10 B1 -174.8(7) . . . . ?
B1 O1 C8 N1 -6.8(10) . . . . ?
B1 O1 C8 C7 176.2(6) . . . . ?
B1 C10 C11 C12 176.9(9) . . . . ?

_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
;

