# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

####################################################################### 
# 
# 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_TST
_audit_block_doi                 10.5517/ccdc.csd.cc228wy6
_database_code_depnum_ccdc_archive 'CCDC 1915178'
loop_
_audit_author_name
_audit_author_address
TST
;Jilin Unversity
China
;
_audit_update_record             
;
2019-05-10 deposited with the CCDC.	2019-05-27 downloaded from the CCDC.
;
_audit_creation_date             2019-04-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.18 svn.r3501 for OlexSys, GUI svn.r5488)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H35 B F2 N2 O'
_chemical_formula_sum            'C33 H35 B F2 N2 O'
_chemical_formula_weight         524.44
_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 0.0033 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
B B 0.0013 0.0007 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.9182(10)
_cell_length_b                   10.3031(6)
_cell_length_c                   17.9521(10)
_cell_angle_alpha                90
_cell_angle_beta                 98.911(3)
_cell_angle_gamma                90
_cell_volume                     2908.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9545
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.511
_cell_measurement_theta_min      3.031
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.989
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            52231
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.550
_diffrn_reflns_theta_min         2.714
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8135
_reflns_number_total             9688
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.427
_refine_diff_density_min         -0.213
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         9688
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0422
_refine_ls_restrained_S_all      1.020
_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)+(0.0568P)²+0.8914P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1154
_refine_special_details          ?
_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.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C11(H11), C12(H12), C13(H13), C15(H15), C21(H21), C23(H23),
 C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32),
  C33(H33)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C14(H14A,H14B,H14C), C18(H18A,H18B,H18C), C19(H19A,H19B,
 H19C), C20(H20A,H20B,H20C), C34(H34A,H34B,H34C)
;
_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
O1 O 0.34202(4) 0.63049(6) 0.41396(4) 0.01648(13) Uani 1 1 d . . . . .
F2 F 0.46071(4) 0.67031(7) 0.50474(3) 0.02481(13) Uani 1 1 d . . . . .
F3 F 0.43583(4) 0.79661(5) 0.39971(4) 0.02344(13) Uani 1 1 d . . . . .
N1 N 0.48634(4) 0.57813(7) 0.38667(4) 0.01270(13) Uani 1 1 d . . . . .
N2 N 0.80958(5) 0.73374(8) 0.32760(5) 0.01772(15) Uani 1 1 d . . . . .
C1 C 0.09255(8) 0.48610(12) 0.45269(10) 0.0472(4) Uani 1 1 d . . . . .
H1A H 0.0656 0.4510 0.4041 0.071 Uiso 1 1 calc GR . . . .
H1B H 0.0540 0.5480 0.4714 0.071 Uiso 1 1 calc GR . . . .
H1C H 0.1052 0.4151 0.4890 0.071 Uiso 1 1 calc GR . . . .
C2 C 0.17541(6) 0.55535(10) 0.44263(7) 0.0253(2) Uani 1 1 d . . . . .
C3 C 0.23685(5) 0.46430(8) 0.41043(5) 0.01622(16) Uani 1 1 d . . . . .
C4 C 0.31894(5) 0.50643(8) 0.40075(5) 0.01330(15) Uani 1 1 d . . . . .
B5 B 0.42973(6) 0.67396(9) 0.42808(6) 0.01452(17) Uani 1 1 d . . . . .
C6 C 0.56863(5) 0.61784(8) 0.37200(5) 0.01337(15) Uani 1 1 d . . . . .
C7 C 0.59401(5) 0.58910(9) 0.30300(5) 0.01605(16) Uani 1 1 d . . . . .
H7 H 0.5568 0.5432 0.2656 0.019 Uiso 1 1 calc R . . . .
C8 C 0.67365(6) 0.62735(9) 0.28875(5) 0.01695(16) Uani 1 1 d . . . . .
H8 H 0.6905 0.6073 0.2416 0.020 Uiso 1 1 calc R . . . .
C9 C 0.72915(5) 0.69492(8) 0.34304(5) 0.01453(15) Uani 1 1 d . . . . .
C10 C 0.84991(5) 0.84809(9) 0.35835(5) 0.01542(15) Uani 1 1 d . . . . .
C11 C 0.93894(6) 0.85607(10) 0.36909(6) 0.02125(18) Uani 1 1 d . . . . .
H11 H 0.9716 0.7844 0.3565 0.026 Uiso 1 1 calc R . . . .
C12 C 0.97939(7) 0.96872(11) 0.39813(6) 0.0277(2) Uani 1 1 d . . . . .
H12 H 1.0397 0.9738 0.4046 0.033 Uiso 1 1 calc R . . . .
C13 C 0.93315(8) 1.07384(11) 0.41776(6) 0.0288(2) Uani 1 1 d . . . . .
H13 H 0.9613 1.1504 0.4379 0.035 Uiso 1 1 calc R . . . .
C14 C 0.15133(7) 0.67076(11) 0.38908(8) 0.0317(2) Uani 1 1 d . . . . .
H14A H 0.2032 0.7127 0.3778 0.048 Uiso 1 1 calc GR . . . .
H14B H 0.1178 0.7335 0.4132 0.048 Uiso 1 1 calc GR . . . .
H14C H 0.1176 0.6395 0.3422 0.048 Uiso 1 1 calc GR . . . .
C15 C 0.21666(5) 0.33577(9) 0.39223(5) 0.01627(16) Uani 1 1 d . . . . .
H15 H 0.1618 0.3061 0.3987 0.020 Uiso 1 1 calc R . . . .
C16 C 0.27154(5) 0.24587(8) 0.36486(5) 0.01400(15) Uani 1 1 d . . . . .
C17 C 0.24124(6) 0.10633(9) 0.34828(5) 0.01709(16) Uani 1 1 d . . . . .
C18 C 0.23030(7) 0.04026(10) 0.42299(6) 0.0255(2) Uani 1 1 d . . . . .
H18A H 0.2849 0.0395 0.4568 0.038 Uiso 1 1 calc GR . . . .
H18B H 0.2106 -0.0491 0.4131 0.038 Uiso 1 1 calc GR . . . .
H18C H 0.1884 0.0883 0.4468 0.038 Uiso 1 1 calc GR . . . .
C19 C 0.30436(7) 0.02705(10) 0.31051(7) 0.0278(2) Uani 1 1 d . . . . .
H19A H 0.3131 0.0695 0.2635 0.042 Uiso 1 1 calc GR . . . .
H19B H 0.2817 -0.0604 0.2995 0.042 Uiso 1 1 calc GR . . . .
H19C H 0.3587 0.0214 0.3444 0.042 Uiso 1 1 calc GR . . . .
C20 C 0.15529(7) 0.10703(11) 0.29560(6) 0.0257(2) Uani 1 1 d . . . . .
H20A H 0.1131 0.1532 0.3200 0.039 Uiso 1 1 calc GR . . . .
H20B H 0.1364 0.0175 0.2849 0.039 Uiso 1 1 calc GR . . . .
H20C H 0.1616 0.1508 0.2483 0.039 Uiso 1 1 calc GR . . . .
C21 C 0.35173(5) 0.28939(8) 0.35682(5) 0.01388(15) Uani 1 1 d . . . . .
H21 H 0.3909 0.2320 0.3391 0.017 Uiso 1 1 calc R . . . .
C22 C 0.37553(5) 0.41877(8) 0.37491(5) 0.01252(14) Uani 1 1 d . . . . .
C23 C 0.62319(5) 0.68567(9) 0.42658(5) 0.01540(15) Uani 1 1 d . . . . .
H23 H 0.6057 0.7069 0.4733 0.018 Uiso 1 1 calc R . . . .
C24 C 0.70319(5) 0.72220(9) 0.41252(5) 0.01611(16) Uani 1 1 d . . . . .
H24 H 0.7408 0.7663 0.4505 0.019 Uiso 1 1 calc R . . . .
C25 C 0.84903(5) 0.66186(9) 0.27390(5) 0.01733(16) Uani 1 1 d . . . . .
C26 C 0.86162(6) 0.71984(10) 0.20652(6) 0.02245(19) Uani 1 1 d . . . . .
H26 H 0.8420 0.8057 0.1951 0.027 Uiso 1 1 calc R . . . .
C27 C 0.90314(7) 0.65150(12) 0.15578(6) 0.0299(2) Uani 1 1 d . . . . .
H27 H 0.9121 0.6911 0.1099 0.036 Uiso 1 1 calc R . . . .
C28 C 0.93141(7) 0.52584(12) 0.17223(7) 0.0321(3) Uani 1 1 d . . . . .
H28 H 0.9603 0.4798 0.1379 0.038 Uiso 1 1 calc R . . . .
C29 C 0.91753(7) 0.46763(11) 0.23871(7) 0.0306(2) Uani 1 1 d . . . . .
H29 H 0.9361 0.3811 0.2496 0.037 Uiso 1 1 calc R . . . .
C30 C 0.87635(6) 0.53524(10) 0.28990(6) 0.02366(19) Uani 1 1 d . . . . .
H30 H 0.8670 0.4950 0.3355 0.028 Uiso 1 1 calc R . . . .
C31 C 0.80334(6) 0.95459(9) 0.37739(5) 0.01800(16) Uani 1 1 d . . . . .
H31 H 0.7430 0.9511 0.3697 0.022 Uiso 1 1 calc R . . . .
C32 C 0.84498(7) 1.06563(10) 0.40760(6) 0.0245(2) Uani 1 1 d . . . . .
H32 H 0.8128 1.1368 0.4215 0.029 Uiso 1 1 calc R . . . .
C33 C 0.45854(5) 0.46277(8) 0.36624(5) 0.01342(15) Uani 1 1 d . . . . .
H33 H 0.4949 0.4055 0.3447 0.016 Uiso 1 1 calc R . . . .
C34 C 0.21701(8) 0.60488(11) 0.52077(7) 0.0329(3) Uani 1 1 d . . . . .
H34A H 0.2381 0.5309 0.5526 0.049 Uiso 1 1 calc GR . . . .
H34B H 0.1748 0.6526 0.5444 0.049 Uiso 1 1 calc GR . . . .
H34C H 0.2645 0.6626 0.5150 0.049 Uiso 1 1 calc GR . . . .


_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
O1 C4 1.3409(10) . ?
O1 B5 1.4508(11) . ?
F2 B5 1.3887(11) . ?
F3 B5 1.3715(11) . ?
N1 B5 1.5959(12) . ?
N1 C6 1.4350(10) . ?
N1 C33 1.3011(11) . ?
N2 C9 1.4092(11) . ?
N2 C10 1.4124(11) . ?
N2 C25 1.4351(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.5346(14) . ?
C2 C3 1.5315(12) . ?
C2 C14 1.5398(16) . ?
C2 C34 1.5423(17) . ?
C3 C4 1.4130(11) . ?
C3 C15 1.3897(12) . ?
C4 C22 1.4042(11) . ?
C6 C7 1.3929(11) . ?
C6 C23 1.3926(12) . ?
C7 H7 0.9500 . ?
C7 C8 1.3887(12) . ?
C8 H8 0.9500 . ?
C8 C9 1.3958(12) . ?
C9 C24 1.4019(12) . ?
C10 C11 1.4028(12) . ?
C10 C31 1.3961(13) . ?
C11 H11 0.9500 . ?
C11 C12 1.3890(14) . ?
C12 H12 0.9500 . ?
C12 C13 1.3854(17) . ?
C13 H13 0.9500 . ?
C13 C32 1.3895(16) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 0.9500 . ?
C15 C16 1.4126(12) . ?
C16 C17 1.5309(12) . ?
C16 C21 1.3814(11) . ?
C17 C18 1.5378(13) . ?
C17 C19 1.5321(13) . ?
C17 C20 1.5381(14) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 0.9500 . ?
C21 C22 1.4099(11) . ?
C22 C33 1.4281(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.3879(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.3911(13) . ?
C25 C30 1.3910(14) . ?
C26 H26 0.9500 . ?
C26 C27 1.3960(14) . ?
C27 H27 0.9500 . ?
C27 C28 1.3874(18) . ?
C28 H28 0.9500 . ?
C28 C29 1.3838(18) . ?
C29 H29 0.9500 . ?
C29 C30 1.3949(15) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.3896(13) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?

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
C4 O1 B5 123.71(7) . . ?
C6 N1 B5 120.43(7) . . ?
C33 N1 B5 120.30(7) . . ?
C33 N1 C6 119.27(7) . . ?
C9 N2 C10 122.12(7) . . ?
C9 N2 C25 119.41(7) . . ?
C10 N2 C25 118.24(7) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
C1 C2 C14 107.28(10) . . ?
C1 C2 C34 107.61(10) . . ?
C3 C2 C1 111.74(8) . . ?
C3 C2 C14 110.43(9) . . ?
C3 C2 C34 109.68(9) . . ?
C14 C2 C34 110.04(9) . . ?
C4 C3 C2 121.00(8) . . ?
C15 C3 C2 122.31(8) . . ?
C15 C3 C4 116.64(8) . . ?
O1 C4 C3 120.29(7) . . ?
O1 C4 C22 119.95(7) . . ?
C22 C4 C3 119.73(8) . . ?
O1 B5 N1 108.98(7) . . ?
F2 B5 O1 110.44(7) . . ?
F2 B5 N1 107.78(7) . . ?
F3 B5 O1 109.95(7) . . ?
F3 B5 F2 110.99(8) . . ?
F3 B5 N1 108.64(7) . . ?
C7 C6 N1 120.09(7) . . ?
C23 C6 N1 120.09(7) . . ?
C23 C6 C7 119.81(8) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.15(8) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 119.7 . . ?
C7 C8 C9 120.67(8) . . ?
C9 C8 H8 119.7 . . ?
C8 C9 N2 120.02(8) . . ?
C8 C9 C24 118.64(8) . . ?
C24 C9 N2 121.34(8) . . ?
C11 C10 N2 119.40(8) . . ?
C31 C10 N2 121.66(8) . . ?
C31 C10 C11 118.93(8) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.02(10) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 121.00(10) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 120.5 . . ?
C12 C13 C32 118.99(9) . . ?
C32 C13 H13 120.5 . . ?
C2 C14 H14A 109.5 . . ?
C2 C14 H14B 109.5 . . ?
C2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C3 C15 H15 117.5 . . ?
C3 C15 C16 125.01(8) . . ?
C16 C15 H15 117.5 . . ?
C15 C16 C17 119.36(7) . . ?
C21 C16 C15 117.04(8) . . ?
C21 C16 C17 123.57(8) . . ?
C16 C17 C18 108.72(7) . . ?
C16 C17 C19 112.23(7) . . ?
C16 C17 C20 109.79(8) . . ?
C18 C17 C20 109.16(8) . . ?
C19 C17 C18 108.70(9) . . ?
C19 C17 C20 108.19(8) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21 119.9 . . ?
C16 C21 C22 120.17(8) . . ?
C22 C21 H21 119.9 . . ?
C4 C22 C21 121.40(7) . . ?
C4 C22 C33 118.92(7) . . ?
C21 C22 C33 119.68(7) . . ?
C6 C23 H23 120.1 . . ?
C24 C23 C6 119.86(8) . . ?
C24 C23 H23 120.1 . . ?
C9 C24 H24 119.6 . . ?
C23 C24 C9 120.84(8) . . ?
C23 C24 H24 119.6 . . ?
C26 C25 N2 119.97(9) . . ?
C30 C25 N2 120.04(9) . . ?
C30 C25 C26 119.97(9) . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.83(10) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.17(10) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.87(10) . . ?
C29 C28 H28 120.1 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.39(11) . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 119.75(10) . . ?
C25 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C10 C31 H31 119.9 . . ?
C32 C31 C10 120.22(9) . . ?
C32 C31 H31 119.9 . . ?
C13 C32 C31 120.83(10) . . ?
C13 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
N1 C33 C22 122.64(7) . . ?
N1 C33 H33 118.7 . . ?
C22 C33 H33 118.7 . . ?
C2 C34 H34A 109.5 . . ?
C2 C34 H34B 109.5 . . ?
C2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

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
O1 C4 C22 C21 -176.73(8) . . . . ?
O1 C4 C22 C33 2.66(12) . . . . ?
N1 C6 C7 C8 -179.94(8) . . . . ?
N1 C6 C23 C24 179.07(8) . . . . ?
N2 C9 C24 C23 178.77(8) . . . . ?
N2 C10 C11 C12 178.96(9) . . . . ?
N2 C10 C31 C32 179.95(8) . . . . ?
N2 C25 C26 C27 177.38(9) . . . . ?
N2 C25 C30 C29 -177.58(9) . . . . ?
C1 C2 C3 C4 -176.36(11) . . . . ?
C1 C2 C3 C15 0.95(15) . . . . ?
C2 C3 C4 O1 -5.42(13) . . . . ?
C2 C3 C4 C22 176.59(9) . . . . ?
C2 C3 C15 C16 -177.70(9) . . . . ?
C3 C4 C22 C21 1.27(13) . . . . ?
C3 C4 C22 C33 -179.34(8) . . . . ?
C3 C15 C16 C17 179.03(9) . . . . ?
C3 C15 C16 C21 1.03(14) . . . . ?
C4 O1 B5 F2 -90.07(10) . . . . ?
C4 O1 B5 F3 147.11(8) . . . . ?
C4 O1 B5 N1 28.14(11) . . . . ?
C4 C3 C15 C16 -0.27(14) . . . . ?
C4 C22 C33 N1 5.33(12) . . . . ?
B5 O1 C4 C3 160.43(8) . . . . ?
B5 O1 C4 C22 -21.58(12) . . . . ?
B5 N1 C6 C7 -137.98(8) . . . . ?
B5 N1 C6 C23 41.76(11) . . . . ?
B5 N1 C33 C22 4.08(12) . . . . ?
C6 N1 B5 O1 161.30(7) . . . . ?
C6 N1 B5 F2 -78.83(9) . . . . ?
C6 N1 B5 F3 41.51(10) . . . . ?
C6 N1 C33 C22 -176.32(8) . . . . ?
C6 C7 C8 C9 -0.06(14) . . . . ?
C6 C23 C24 C9 1.81(14) . . . . ?
C7 C6 C23 C24 -1.19(13) . . . . ?
C7 C8 C9 N2 -179.65(9) . . . . ?
C7 C8 C9 C24 0.65(14) . . . . ?
C8 C9 C24 C23 -1.53(14) . . . . ?
C9 N2 C10 C11 153.08(9) . . . . ?
C9 N2 C10 C31 -27.87(13) . . . . ?
C9 N2 C25 C26 113.85(10) . . . . ?
C9 N2 C25 C30 -67.55(12) . . . . ?
C10 N2 C9 C8 148.17(9) . . . . ?
C10 N2 C9 C24 -32.13(13) . . . . ?
C10 N2 C25 C26 -60.76(12) . . . . ?
C10 N2 C25 C30 117.84(10) . . . . ?
C10 C11 C12 C13 0.81(15) . . . . ?
C10 C31 C32 C13 1.46(14) . . . . ?
C11 C10 C31 C32 -1.00(13) . . . . ?
C11 C12 C13 C32 -0.37(16) . . . . ?
C12 C13 C32 C31 -0.76(15) . . . . ?
C14 C2 C3 C4 64.31(12) . . . . ?
C14 C2 C3 C15 -118.37(10) . . . . ?
C15 C3 C4 O1 177.12(8) . . . . ?
C15 C3 C4 C22 -0.87(13) . . . . ?
C15 C16 C17 C18 -66.42(11) . . . . ?
C15 C16 C17 C19 173.30(9) . . . . ?
C15 C16 C17 C20 52.94(11) . . . . ?
C15 C16 C21 C22 -0.61(12) . . . . ?
C16 C21 C22 C4 -0.49(13) . . . . ?
C16 C21 C22 C33 -179.88(8) . . . . ?
C17 C16 C21 C22 -178.53(8) . . . . ?
C21 C16 C17 C18 111.45(10) . . . . ?
C21 C16 C17 C19 -8.83(12) . . . . ?
C21 C16 C17 C20 -129.19(9) . . . . ?
C21 C22 C33 N1 -175.27(8) . . . . ?
C23 C6 C7 C8 0.33(14) . . . . ?
C25 N2 C9 C8 -26.22(13) . . . . ?
C25 N2 C9 C24 153.47(9) . . . . ?
C25 N2 C10 C11 -32.46(12) . . . . ?
C25 N2 C10 C31 146.59(9) . . . . ?
C25 C26 C27 C28 0.34(16) . . . . ?
C26 C25 C30 C29 1.02(15) . . . . ?
C26 C27 C28 C29 0.75(16) . . . . ?
C27 C28 C29 C30 -0.95(17) . . . . ?
C28 C29 C30 C25 0.07(16) . . . . ?
C30 C25 C26 C27 -1.22(14) . . . . ?
C31 C10 C11 C12 -0.12(14) . . . . ?
C33 N1 B5 O1 -19.11(11) . . . . ?
C33 N1 B5 F2 100.77(9) . . . . ?
C33 N1 B5 F3 -138.89(8) . . . . ?
C33 N1 C6 C7 42.42(12) . . . . ?
C33 N1 C6 C23 -137.84(9) . . . . ?
C34 C2 C3 C4 -57.13(12) . . . . ?
C34 C2 C3 C15 120.19(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
