data_s
_audit_creation_date               2023-06-14
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number       '2019/2'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C34 H25 B N2 O'
_chemical_formula_sum              'C34 H25 B N2 O'
_chemical_formula_weight           488.37
_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'

_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, y+1/2, -z+1/2'
 'x+1/2, -y+1/2, -z'

_cell_length_a                     8.8066(3)
_cell_length_b                     12.9199(4)
_cell_length_c                     23.7613(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2703.57(15)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9959
_cell_measurement_temperature      248.00
_cell_measurement_theta_max        68.320
_cell_measurement_theta_min        3.894
_shelx_estimated_absorpt_T_max     0.946
_shelx_estimated_absorpt_T_min     0.842
_exptl_absorpt_coefficient_mu      0.557
_exptl_absorpt_correction_T_max    0.7531
_exptl_absorpt_correction_T_min    0.6706
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0936 before and 0.0633 after correction.
The Ratio of minimum to maximum transmission is 0.8905.
The λ/2 correction factor is Not present.
;
_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      1.200
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1024
_exptl_crystal_size_max            0.32
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.1
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0535
_diffrn_reflns_av_unetI/netI       0.0219
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         10
_diffrn_reflns_limit_h_min         -10
_diffrn_reflns_limit_k_max         15
_diffrn_reflns_limit_k_min         -15
_diffrn_reflns_limit_l_max         28
_diffrn_reflns_limit_l_min         -28
_diffrn_reflns_number              41242
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.998
_diffrn_reflns_theta_full          67.679
_diffrn_reflns_theta_max           68.417
_diffrn_reflns_theta_min           3.720
_diffrn_ambient_temperature        248.00
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.999
_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_source                     ?
_diffrn_source_current             50.0
_diffrn_source_power               2.5
_diffrn_source_voltage             50.0
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.756
_reflns_Friedel_fraction_full      1.000
_reflns_Friedel_fraction_max       0.998
_reflns_number_gt                  4665
_reflns_number_total               4970
_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 V8.40A (Bruker, 2019)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40A (Bruker, 2019)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.312
_refine_diff_density_min           -0.142
_refine_diff_density_rms           0.031
_refine_ls_abs_structure_details
;
 Flack x determined using 1938 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.02(9)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.043
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       345
_refine_ls_number_reflns           4970
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0348
_refine_ls_R_factor_gt             0.0320
_refine_ls_restrained_S_all        1.043
_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)+(0.0494P)²+0.2609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0827
_refine_ls_wR_factor_ref           0.0855
_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:
 C22(H22), C26(H26), C28(H28), C30(H30), C34(H34), C17(H17), C9(H9), C19(H19),
 C5(H5), C11(H11), C23(H23), C3(H3), C25(H25), C13(H13), C27(H27), C7(H7),
 C29(H29), C2(H2), C33(H33)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C31(H31A,H31B,H31C)
;
_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
 O1 O 0.57799(18) 0.72465(10) 0.57799(6) 0.0498(4) Uani 1 1 d . . . . .
 N1 N 0.48111(18) 0.33337(11) 0.66483(7) 0.0371(3) Uani 1 1 d . . . . .
 N2 N 0.68933(18) 0.37907(11) 0.72118(7) 0.0355(3) Uani 1 1 d . . . . .
 C1 C 0.6345(2) 0.64002(13) 0.58624(8) 0.0356(4) Uani 1 1 d . . . . .
 C4 C 0.7985(2) 0.49953(13) 0.58297(8) 0.0359(4) Uani 1 1 d . . . . .
 C6 C 0.6711(2) 0.47406(13) 0.62290(7) 0.0332(4) Uani 1 1 d . . . . .
 C8 C 0.5705(2) 0.35209(14) 0.75502(8) 0.0371(4) Uani 1 1 d . . . . .
 C10 C 0.4441(2) 0.32344(14) 0.72099(8) 0.0374(4) Uani 1 1 d . . . . .
 C12 C 0.5762(2) 0.55668(13) 0.62446(8) 0.0339(4) Uani 1 1 d . . . . .
 C14 C 0.7984(2) 0.19289(14) 0.61324(8) 0.0412(4) Uani 1 1 d . . . . .
 C16 C 0.8686(2) 0.10004(14) 0.59228(8) 0.0375(4) Uani 1 1 d . . . . .
 C18 C 0.7765(2) 0.59927(13) 0.56096(8) 0.0345(4) Uani 1 1 d . . . . .
 C20 C 0.7402(2) 0.27070(15) 0.63082(8) 0.0413(4) Uani 1 1 d . . . . .
 C22 C 1.0063(3) -0.07949(16) 0.55188(9) 0.0455(5) Uani 1 1 d . . . . .
 H22 H 1.052154 -0.140048 0.538043 0.055 Uiso 1 1 calc R U . . .
 C24 C 0.4364(2) 0.57378(14) 0.65800(9) 0.0430(5) Uani 1 1 d . . . . .
 C26 C 0.8716(2) 0.64228(14) 0.52161(9) 0.0425(4) Uani 1 1 d . . . . .
 H26 H 0.853662 0.709094 0.507425 0.051 Uiso 1 1 calc R U . . .
 C28 C 1.0786(3) 0.01490(17) 0.54637(10) 0.0508(5) Uani 1 1 d . . . . .
 H28 H 1.174310 0.018491 0.528983 0.061 Uiso 1 1 calc R U . . .
 C30 C 0.7980(2) 0.00467(15) 0.59803(9) 0.0440(5) Uani 1 1 d . . . . .
 H30 H 0.702839 0.000392 0.615815 0.053 Uiso 1 1 calc R U . . .
 C32 C 0.2953(2) 0.28902(17) 0.72593(10) 0.0488(5) Uani 1 1 d . . . . .
 C34 C 0.5857(3) 0.35767(17) 0.81315(9) 0.0496(5) Uani 1 1 d . . . . .
 H34 H 0.505793 0.336961 0.836852 0.059 Uiso 1 1 calc R U . . .
 C17 C 0.8665(3) -0.08427(16) 0.57776(9) 0.0475(5) Uani 1 1 d . . . . .
 H17 H 0.817333 -0.148424 0.581708 0.057 Uiso 1 1 calc R U . . .
 C9 C 0.8207(3) 0.41355(17) 0.74303(10) 0.0474(5) Uani 1 1 d . . . . .
 H9 H 0.901350 0.431339 0.718974 0.057 Uiso 1 1 calc R U . . .
 C19 C 1.0106(3) 0.10404(16) 0.56636(9) 0.0471(5) Uani 1 1 d . . . . .
 H19 H 1.060467 0.167948 0.562437 0.057 Uiso 1 1 calc R U . . .
 C5 C 0.9222(2) 0.44299(17) 0.56497(11) 0.0511(5) Uani 1 1 d . . . . .
 H5 H 0.940750 0.376445 0.579405 0.061 Uiso 1 1 calc R U . . .
 C21 C 0.3600(3) 0.30557(17) 0.63358(10) 0.0494(5) Uani 1 1 d . . . . .
 C11 C 0.9955(3) 0.58414(17) 0.50324(10) 0.0533(6) Uani 1 1 d . . . . .
 H11 H 1.062367 0.611480 0.476229 0.064 Uiso 1 1 calc R U . . .
 C23 C 0.4442(3) 0.57988(15) 0.71650(10) 0.0554(6) Uani 1 1 d . . . . .
 H23 H 0.537712 0.570995 0.734914 0.066 Uiso 1 1 calc R U . . .
 C3 C 0.7185(3) 0.3937(2) 0.83521(11) 0.0611(6) Uani 1 1 d . . . . .
 H3 H 0.729530 0.398856 0.874455 0.073 Uiso 1 1 calc R U . . .
 C25 C 1.0196(3) 0.48639(18) 0.52484(12) 0.0596(6) Uani 1 1 d . . . . .
 H25 H 1.103696 0.447942 0.512286 0.071 Uiso 1 1 calc R U . . .
 C13 C 0.2983(3) 0.5902(2) 0.63165(14) 0.0662(7) Uani 1 1 d . . . . .
 H13 H 0.292536 0.588996 0.592153 0.079 Uiso 1 1 calc R U . . .
 C27 C 0.2429(3) 0.2788(2) 0.67038(11) 0.0580(6) Uani 1 1 d . . . . .
 H27 H 0.144941 0.257486 0.659726 0.070 Uiso 1 1 calc R U . . .
 C7 C 0.8380(3) 0.4230(2) 0.80017(11) 0.0610(6) Uani 1 1 d . . . . .
 H7 H 0.928925 0.448740 0.815456 0.073 Uiso 1 1 calc R U . . .
 C29 C 0.3132(5) 0.59916(19) 0.74763(14) 0.0798(10) Uani 1 1 d . . . . .
 H29 H 0.319022 0.602894 0.787077 0.096 Uiso 1 1 calc R U . . .
 B1 B 0.6486(2) 0.36525(15) 0.65569(9) 0.0350(4) Uani 1 1 d . . . . .
 C15 C 0.2094(3) 0.2688(3) 0.77926(12) 0.0739(8) Uani 1 1 d . . . . .
 H15A H 0.240265 0.202610 0.794762 0.111 Uiso 1 1 calc R U . . .
 H15B H 0.101362 0.267461 0.771304 0.111 Uiso 1 1 calc R U . . .
 H15C H 0.230919 0.323219 0.806220 0.111 Uiso 1 1 calc R U . . .
 C31 C 0.3656(4) 0.3073(2) 0.57089(11) 0.0712(8) Uani 1 1 d . . . . .
 H31A H 0.399196 0.374959 0.558250 0.107 Uiso 1 1 calc R U . . .
 H31B H 0.265293 0.293215 0.555914 0.107 Uiso 1 1 calc R U . . .
 H31C H 0.436115 0.254971 0.557707 0.107 Uiso 1 1 calc R U . . .
 C2 C 0.1761(4) 0.6128(2) 0.7214(2) 0.0932(12) Uani 1 1 d . . . . .
 H2 H 0.088239 0.624915 0.742907 0.112 Uiso 1 1 calc R U . . .
 C33 C 0.1672(3) 0.6085(3) 0.6634(2) 0.0923(11) Uani 1 1 d . . . . .
 H33 H 0.073243 0.617992 0.645327 0.111 Uiso 1 1 calc R U . . .


_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 C1 1.217(2) . ?
 N1 C10 1.380(3) . ?
 N1 C21 1.348(3) . ?
 N1 B1 1.547(3) . ?
 N2 C8 1.365(3) . ?
 N2 C9 1.344(3) . ?
 N2 B1 1.607(3) . ?
 C1 C12 1.499(2) . ?
 C1 C18 1.483(3) . ?
 C4 C6 1.506(3) . ?
 C4 C18 1.404(2) . ?
 C4 C5 1.380(3) . ?
 C6 C12 1.356(3) . ?
 C6 B1 1.619(3) . ?
 C8 C10 1.425(3) . ?
 C8 C34 1.390(3) . ?
 C10 C32 1.389(3) . ?
 C12 C24 1.483(3) . ?
 C14 C16 1.439(3) . ?
 C14 C20 1.203(3) . ?
 C16 C30 1.387(3) . ?
 C16 C19 1.395(3) . ?
 C18 C26 1.373(3) . ?
 C20 B1 1.578(3) . ?
 C22 H22 0.9400 . ?
 C22 C28 1.382(3) . ?
 C22 C17 1.377(3) . ?
 C24 C23 1.394(3) . ?
 C24 C13 1.384(4) . ?
 C26 H26 0.9400 . ?
 C26 C11 1.395(3) . ?
 C28 H28 0.9400 . ?
 C28 C19 1.382(3) . ?
 C30 H30 0.9400 . ?
 C30 C17 1.385(3) . ?
 C32 C27 1.405(4) . ?
 C32 C15 1.499(3) . ?
 C34 H34 0.9400 . ?
 C34 C3 1.363(4) . ?
 C17 H17 0.9400 . ?
 C9 H9 0.9400 . ?
 C9 C7 1.372(3) . ?
 C19 H19 0.9400 . ?
 C5 H5 0.9400 . ?
 C5 C25 1.400(3) . ?
 C21 C27 1.396(3) . ?
 C21 C31 1.491(3) . ?
 C11 H11 0.9400 . ?
 C11 C25 1.380(3) . ?
 C23 H23 0.9400 . ?
 C23 C29 1.392(4) . ?
 C3 H3 0.9400 . ?
 C3 C7 1.395(4) . ?
 C25 H25 0.9400 . ?
 C13 H13 0.9400 . ?
 C13 C33 1.400(4) . ?
 C27 H27 0.9400 . ?
 C7 H7 0.9400 . ?
 C29 H29 0.9400 . ?
 C29 C2 1.370(6) . ?
 C15 H15A 0.9700 . ?
 C15 H15B 0.9700 . ?
 C15 H15C 0.9700 . ?
 C31 H31A 0.9700 . ?
 C31 H31B 0.9700 . ?
 C31 H31C 0.9700 . ?
 C2 H2 0.9400 . ?
 C2 C33 1.382(6) . ?
 C33 H33 0.9400 . ?

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
 C10 N1 B1 112.70(16) . . ?
 C21 N1 C10 108.73(17) . . ?
 C21 N1 B1 138.40(18) . . ?
 C8 N2 B1 111.80(15) . . ?
 C9 N2 C8 121.13(17) . . ?
 C9 N2 B1 127.07(17) . . ?
 O1 C1 C12 127.04(18) . . ?
 O1 C1 C18 126.74(17) . . ?
 C18 C1 C12 106.21(15) . . ?
 C18 C4 C6 109.41(16) . . ?
 C5 C4 C6 131.91(16) . . ?
 C5 C4 C18 118.66(17) . . ?
 C4 C6 B1 125.73(15) . . ?
 C12 C6 C4 107.72(15) . . ?
 C12 C6 B1 126.50(16) . . ?
 N2 C8 C10 109.32(17) . . ?
 N2 C8 C34 119.9(2) . . ?
 C34 C8 C10 130.7(2) . . ?
 N1 C10 C8 109.89(17) . . ?
 N1 C10 C32 109.53(19) . . ?
 C32 C10 C8 140.6(2) . . ?
 C6 C12 C1 109.72(16) . . ?
 C6 C12 C24 130.05(16) . . ?
 C24 C12 C1 120.20(16) . . ?
 C20 C14 C16 179.8(3) . . ?
 C30 C16 C14 120.93(18) . . ?
 C30 C16 C19 118.58(18) . . ?
 C19 C16 C14 120.49(18) . . ?
 C4 C18 C1 106.94(16) . . ?
 C26 C18 C1 130.26(17) . . ?
 C26 C18 C4 122.74(18) . . ?
 C14 C20 B1 173.8(2) . . ?
 C28 C22 H22 120.2 . . ?
 C17 C22 H22 120.2 . . ?
 C17 C22 C28 119.58(19) . . ?
 C23 C24 C12 120.2(2) . . ?
 C13 C24 C12 120.6(2) . . ?
 C13 C24 C23 119.1(2) . . ?
 C18 C26 H26 120.9 . . ?
 C18 C26 C11 118.19(18) . . ?
 C11 C26 H26 120.9 . . ?
 C22 C28 H28 119.9 . . ?
 C22 C28 C19 120.2(2) . . ?
 C19 C28 H28 119.9 . . ?
 C16 C30 H30 119.8 . . ?
 C17 C30 C16 120.5(2) . . ?
 C17 C30 H30 119.8 . . ?
 C10 C32 C27 105.1(2) . . ?
 C10 C32 C15 127.1(2) . . ?
 C27 C32 C15 127.8(2) . . ?
 C8 C34 H34 120.6 . . ?
 C3 C34 C8 118.8(2) . . ?
 C3 C34 H34 120.6 . . ?
 C22 C17 C30 120.52(19) . . ?
 C22 C17 H17 119.7 . . ?
 C30 C17 H17 119.7 . . ?
 N2 C9 H9 119.8 . . ?
 N2 C9 C7 120.5(2) . . ?
 C7 C9 H9 119.8 . . ?
 C16 C19 H19 119.7 . . ?
 C28 C19 C16 120.62(19) . . ?
 C28 C19 H19 119.7 . . ?
 C4 C5 H5 120.6 . . ?
 C4 C5 C25 118.89(19) . . ?
 C25 C5 H5 120.6 . . ?
 N1 C21 C27 107.80(19) . . ?
 N1 C21 C31 121.3(2) . . ?
 C27 C21 C31 130.9(2) . . ?
 C26 C11 H11 120.1 . . ?
 C25 C11 C26 119.8(2) . . ?
 C25 C11 H11 120.1 . . ?
 C24 C23 H23 120.0 . . ?
 C29 C23 C24 119.9(3) . . ?
 C29 C23 H23 120.0 . . ?
 C34 C3 H3 119.6 . . ?
 C34 C3 C7 120.7(2) . . ?
 C7 C3 H3 119.6 . . ?
 C5 C25 H25 119.2 . . ?
 C11 C25 C5 121.7(2) . . ?
 C11 C25 H25 119.2 . . ?
 C24 C13 H13 119.8 . . ?
 C24 C13 C33 120.5(3) . . ?
 C33 C13 H13 119.8 . . ?
 C32 C27 H27 125.6 . . ?
 C21 C27 C32 108.8(2) . . ?
 C21 C27 H27 125.6 . . ?
 C9 C7 C3 118.9(2) . . ?
 C9 C7 H7 120.6 . . ?
 C3 C7 H7 120.6 . . ?
 C23 C29 H29 119.6 . . ?
 C2 C29 C23 120.8(3) . . ?
 C2 C29 H29 119.6 . . ?
 N1 B1 N2 96.09(14) . . ?
 N1 B1 C6 114.53(15) . . ?
 N1 B1 C20 109.50(15) . . ?
 N2 B1 C6 110.01(14) . . ?
 C20 B1 N2 109.55(15) . . ?
 C20 B1 C6 115.42(16) . . ?
 C32 C15 H15A 109.5 . . ?
 C32 C15 H15B 109.5 . . ?
 C32 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 C21 C31 H31A 109.5 . . ?
 C21 C31 H31B 109.5 . . ?
 C21 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 C29 C2 H2 120.1 . . ?
 C29 C2 C33 119.9(3) . . ?
 C33 C2 H2 120.1 . . ?
 C13 C33 H33 120.1 . . ?
 C2 C33 C13 119.8(3) . . ?
 C2 C33 H33 120.1 . . ?

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 C1 C12 C6 -179.30(19) . . . . ?
 O1 C1 C12 C24 -1.1(3) . . . . ?
 O1 C1 C18 C4 179.30(19) . . . . ?
 O1 C1 C18 C26 -3.5(3) . . . . ?
 N1 C10 C32 C27 -0.2(2) . . . . ?
 N1 C10 C32 C15 -179.5(2) . . . . ?
 N1 C21 C27 C32 -1.0(3) . . . . ?
 N2 C8 C10 N1 -0.8(2) . . . . ?
 N2 C8 C10 C32 179.5(2) . . . . ?
 N2 C8 C34 C3 2.2(3) . . . . ?
 N2 C9 C7 C3 1.6(4) . . . . ?
 C1 C12 C24 C23 -113.1(2) . . . . ?
 C1 C12 C24 C13 62.9(3) . . . . ?
 C1 C18 C26 C11 -177.2(2) . . . . ?
 C4 C6 C12 C1 0.0(2) . . . . ?
 C4 C6 C12 C24 -177.99(19) . . . . ?
 C4 C6 B1 N1 -146.35(18) . . . . ?
 C4 C6 B1 N2 106.77(19) . . . . ?
 C4 C6 B1 C20 -17.8(3) . . . . ?
 C4 C18 C26 C11 -0.4(3) . . . . ?
 C4 C5 C25 C11 0.4(4) . . . . ?
 C6 C4 C18 C1 0.0(2) . . . . ?
 C6 C4 C18 C26 -177.44(18) . . . . ?
 C6 C4 C5 C25 177.1(2) . . . . ?
 C6 C12 C24 C23 64.7(3) . . . . ?
 C6 C12 C24 C13 -119.3(2) . . . . ?
 C8 N2 C9 C7 -0.4(3) . . . . ?
 C8 N2 B1 N1 3.83(17) . . . . ?
 C8 N2 B1 C6 122.73(16) . . . . ?
 C8 N2 B1 C20 -109.38(17) . . . . ?
 C8 C10 C32 C27 179.5(2) . . . . ?
 C8 C10 C32 C15 0.2(4) . . . . ?
 C8 C34 C3 C7 -1.0(4) . . . . ?
 C10 N1 C21 C27 0.9(2) . . . . ?
 C10 N1 C21 C31 -179.5(2) . . . . ?
 C10 N1 B1 N2 -4.33(17) . . . . ?
 C10 N1 B1 C6 -119.62(17) . . . . ?
 C10 N1 B1 C20 108.92(18) . . . . ?
 C10 C8 C34 C3 -176.2(2) . . . . ?
 C10 C32 C27 C21 0.8(3) . . . . ?
 C12 C1 C18 C4 0.02(19) . . . . ?
 C12 C1 C18 C26 177.2(2) . . . . ?
 C12 C6 B1 N1 30.7(3) . . . . ?
 C12 C6 B1 N2 -76.2(2) . . . . ?
 C12 C6 B1 C20 159.22(18) . . . . ?
 C12 C24 C23 C29 178.00(19) . . . . ?
 C12 C24 C13 C33 -178.6(2) . . . . ?
 C14 C16 C30 C17 -179.9(2) . . . . ?
 C14 C16 C19 C28 179.7(2) . . . . ?
 C16 C30 C17 C22 0.4(3) . . . . ?
 C18 C1 C12 C6 0.0(2) . . . . ?
 C18 C1 C12 C24 178.21(16) . . . . ?
 C18 C4 C6 C12 0.0(2) . . . . ?
 C18 C4 C6 B1 177.47(17) . . . . ?
 C18 C4 C5 C25 -1.0(3) . . . . ?
 C18 C26 C11 C25 -0.2(4) . . . . ?
 C22 C28 C19 C16 0.0(3) . . . . ?
 C24 C23 C29 C2 -0.3(4) . . . . ?
 C24 C13 C33 C2 1.5(5) . . . . ?
 C26 C11 C25 C5 0.2(4) . . . . ?
 C28 C22 C17 C30 0.3(3) . . . . ?
 C30 C16 C19 C28 0.6(3) . . . . ?
 C34 C8 C10 N1 177.7(2) . . . . ?
 C34 C8 C10 C32 -2.0(4) . . . . ?
 C34 C3 C7 C9 -0.9(4) . . . . ?
 C17 C22 C28 C19 -0.5(3) . . . . ?
 C9 N2 C8 C10 177.13(16) . . . . ?
 C9 N2 C8 C34 -1.6(3) . . . . ?
 C9 N2 B1 N1 -175.43(17) . . . . ?
 C9 N2 B1 C6 -56.5(2) . . . . ?
 C9 N2 B1 C20 71.4(2) . . . . ?
 C19 C16 C30 C17 -0.8(3) . . . . ?
 C5 C4 C6 C12 -178.2(2) . . . . ?
 C5 C4 C6 B1 -0.7(3) . . . . ?
 C5 C4 C18 C1 178.47(18) . . . . ?
 C5 C4 C18 C26 1.0(3) . . . . ?
 C21 N1 C10 C8 179.82(16) . . . . ?
 C21 N1 C10 C32 -0.4(2) . . . . ?
 C21 N1 B1 N2 -178.9(2) . . . . ?
 C21 N1 B1 C6 65.8(3) . . . . ?
 C21 N1 B1 C20 -65.7(3) . . . . ?
 C23 C24 C13 C33 -2.5(4) . . . . ?
 C23 C29 C2 C33 -0.7(4) . . . . ?
 C13 C24 C23 C29 1.9(3) . . . . ?
 C29 C2 C33 C13 0.1(5) . . . . ?
 B1 N1 C10 C8 3.6(2) . . . . ?
 B1 N1 C10 C32 -176.59(16) . . . . ?
 B1 N1 C21 C27 175.6(2) . . . . ?
 B1 N1 C21 C31 -4.8(4) . . . . ?
 B1 N2 C8 C10 -2.2(2) . . . . ?
 B1 N2 C8 C34 179.09(17) . . . . ?
 B1 N2 C9 C7 178.8(2) . . . . ?
 B1 C6 C12 C1 -177.43(17) . . . . ?
 B1 C6 C12 C24 4.5(3) . . . . ?
 C15 C32 C27 C21 180.0(3) . . . . ?
 C31 C21 C27 C32 179.4(3) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
