data_cu_220531a_0m_a
_audit_creation_date               2023-06-26
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number       '2018/3'
_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. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C13 H26 B F2 N O'
_chemical_formula_sum              'C13 H26 B F2 N O'
_chemical_formula_weight           261.16
_chemical_absolute_configuration   syn
_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'
 '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'
 '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        'monoclinic'
_space_group_IT_number             4
_space_group_name_H-M_alt          'P 1 21 1'
_space_group_name_Hall             'P 2yb'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'

_cell_length_a                     8.8175(10)
_cell_length_b                     12.8022(14)
_cell_length_c                     14.4344(16)
_cell_angle_alpha                  90
_cell_angle_beta                   100.787(4)
_cell_angle_gamma                  90
_cell_volume                       1600.6(3)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9934
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        66.618
_cell_measurement_theta_min        3.116
_shelx_estimated_absorpt_T_max     0.967
_shelx_estimated_absorpt_T_min     0.954
_exptl_absorpt_coefficient_mu      0.675
_exptl_absorpt_correction_T_max    0.1642
_exptl_absorpt_correction_T_min    0.0677
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0701 before and 0.0432 after correction.
The Ratio of minimum to maximum transmission is 0.4123.
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      1.084
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               568
_exptl_crystal_size_max            0.07
_exptl_crystal_size_mid            0.06
_exptl_crystal_size_min            0.05
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0291
_diffrn_reflns_av_unetI/netI       0.0285
_diffrn_reflns_Laue_measured_fraction_full  0.985
_diffrn_reflns_Laue_measured_fraction_max  0.985
_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         17
_diffrn_reflns_limit_l_min         -17
_diffrn_reflns_number              18396
_diffrn_reflns_point_group_measured_fraction_full  0.975
_diffrn_reflns_point_group_measured_fraction_max  0.975
_diffrn_reflns_theta_full          66.648
_diffrn_reflns_theta_max           66.648
_diffrn_reflns_theta_min           3.117
_diffrn_ambient_temperature        293(2)
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.985
_diffrn_measured_fraction_theta_max  0.985
_diffrn_measurement_device_type    'Bruker D8 VENTURE PHOTON III'
_diffrn_measurement_method         ?
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_diffrn_source_current             1.1
_diffrn_source_power               0.055
_diffrn_source_voltage             50.0
_reflns_Friedel_coverage           0.886
_reflns_Friedel_fraction_full      0.963
_reflns_Friedel_fraction_max       0.963
_reflns_number_gt                  5251
_reflns_number_total               5516
_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 V8.40B (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.288
_refine_diff_density_min           -0.228
_refine_diff_density_rms           0.036
_refine_ls_abs_structure_details
;
 Flack x determined using 2309 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.02(3)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.052
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       339
_refine_ls_number_reflns           5516
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0527
_refine_ls_R_factor_gt             0.0511
_refine_ls_restrained_S_all        1.052
_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)+(0.1050P)²+0.0803P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1467
_refine_ls_wR_factor_ref           0.1491
_refine_special_details            ?
_olex2_refinement_description
;
1.a Ternary CH refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C12(H12), C18(H18), C22(H22)
1.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C26(H26A,H26B)
1.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C17(H17A,H17B,
 H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,
 H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C)
;
_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 0.6278(3) 0.3832(2) 0.64300(13) 0.1007(7) Uani 1 1 d . . . . .
 F2 F 0.7114(5) 0.7029(3) 1.0727(3) 0.1639(16) Uani 1 1 d . . . . .
 F3 F 0.5801(5) 0.5888(4) 1.14082(16) 0.1732(18) Uani 1 1 d . . . . .
 F4 F 0.8092(3) 0.30585(19) 0.5771(2) 0.1120(8) Uani 1 1 d . . . . .
 O1 O 0.7660(2) 0.48354(15) 0.55053(12) 0.0675(5) Uani 1 1 d . . . . .
 O2 O 0.7462(3) 0.5234(2) 1.04833(14) 0.0967(8) Uani 1 1 d . . . . .
 N1 N 0.8213(2) 0.59411(18) 0.44319(13) 0.0591(5) Uani 1 1 d . . . . .
 N2 N 0.8194(3) 0.40957(19) 0.95036(14) 0.0650(5) Uani 1 1 d . . . . .
 C1 C 0.7401(2) 0.5150(2) 0.46480(15) 0.0550(5) Uani 1 1 d . . . . .
 C2 C 0.6210(4) 0.5800(3) 0.8147(2) 0.0832(8) Uani 1 1 d . . . . .
 H2 H 0.672922 0.529649 0.780074 0.100 Uiso 1 1 calc R U . . .
 C3 C 0.7890(6) 0.2418(3) 0.8627(4) 0.1114(13) Uani 1 1 d . . . . .
 H3A H 0.875994 0.210899 0.903444 0.167 Uiso 1 1 calc R U . . .
 H3B H 0.778390 0.211905 0.800829 0.167 Uiso 1 1 calc R U . . .
 H3C H 0.697068 0.228651 0.887415 0.167 Uiso 1 1 calc R U . . .
 C4 C 0.6160(3) 0.45157(19) 0.39820(16) 0.0569(5) Uani 1 1 d . . . . .
 C5 C 0.9488(5) 0.3764(3) 1.0266(2) 0.0963(12) Uani 1 1 d . . . . .
 H5 H 1.003638 0.321642 0.998670 0.116 Uiso 1 1 calc R U . . .
 C6 C 0.4757(3) 0.5213(2) 0.35550(19) 0.0664(6) Uani 1 1 d . . . . .
 H6 H 0.510092 0.569698 0.311032 0.080 Uiso 1 1 calc R U . . .
 C7 C 0.5710(4) 0.3678(3) 0.4663(2) 0.0810(8) Uani 1 1 d . . . . .
 H7A H 0.575638 0.298571 0.439711 0.097 Uiso 1 1 calc R U . . .
 H7B H 0.466719 0.379998 0.476375 0.097 Uiso 1 1 calc R U . . .
 C8 C 0.6883(4) 0.3991(3) 0.3214(2) 0.0803(8) Uani 1 1 d . . . . .
 H8A H 0.705530 0.450485 0.276016 0.120 Uiso 1 1 calc R U . . .
 H8B H 0.619714 0.346220 0.290537 0.120 Uiso 1 1 calc R U . . .
 H8C H 0.784900 0.367775 0.349478 0.120 Uiso 1 1 calc R U . . .
 C9 C 0.8911(8) 0.3249(5) 1.1074(3) 0.149(3) Uani 1 1 d . . . . .
 H9A H 0.854669 0.377356 1.145398 0.224 Uiso 1 1 calc R U . . .
 H9B H 0.973737 0.286463 1.145170 0.224 Uiso 1 1 calc R U . . .
 H9C H 0.808185 0.278047 1.082992 0.224 Uiso 1 1 calc R U . . .
 C10 C 0.9488(4) 0.6190(3) 0.3064(2) 0.0812(8) Uani 1 1 d . . . . .
 H10A H 1.032637 0.659295 0.340771 0.122 Uiso 1 1 calc R U . . .
 H10B H 0.930275 0.639345 0.241265 0.122 Uiso 1 1 calc R U . . .
 H10C H 0.974659 0.546129 0.311538 0.122 Uiso 1 1 calc R U . . .
 C11 C 0.7619(5) 0.7526(3) 0.3439(3) 0.0926(10) Uani 1 1 d . . . . .
 H11A H 0.671897 0.762087 0.371480 0.139 Uiso 1 1 calc R U . . .
 H11B H 0.740479 0.775982 0.279572 0.139 Uiso 1 1 calc R U . . .
 H11C H 0.845995 0.792333 0.378676 0.139 Uiso 1 1 calc R U . . .
 C12 C 0.8049(3) 0.6383(2) 0.34692(18) 0.0648(6) Uani 1 1 d . . . . .
 H12 H 0.720021 0.600921 0.306930 0.078 Uiso 1 1 calc R U . . .
 C13 C 0.9558(4) 0.3845(4) 0.8171(3) 0.0994(11) Uani 1 1 d . . . . .
 H13A H 0.969880 0.458916 0.818290 0.149 Uiso 1 1 calc R U . . .
 H13B H 0.942998 0.359993 0.753269 0.149 Uiso 1 1 calc R U . . .
 H13C H 1.044694 0.351844 0.854445 0.149 Uiso 1 1 calc R U . . .
 C14 C 0.7217(3) 0.4814(2) 0.96635(17) 0.0637(6) Uani 1 1 d . . . . .
 C15 C 0.4203(4) 0.5867(4) 0.4313(4) 0.1137(15) Uani 1 1 d . . . . .
 H15A H 0.379901 0.541427 0.473784 0.171 Uiso 1 1 calc R U . . .
 H15B H 0.340846 0.633767 0.401948 0.171 Uiso 1 1 calc R U . . .
 H15C H 0.505280 0.626011 0.465601 0.171 Uiso 1 1 calc R U . . .
 C16 C 0.5752(3) 0.5209(2) 0.89960(18) 0.0666(6) Uani 1 1 d . . . . .
 C17 C 0.7333(7) 0.6682(4) 0.8453(4) 0.1225(16) Uani 1 1 d . . . . .
 H17A H 0.686595 0.718471 0.880566 0.184 Uiso 1 1 calc R U . . .
 H17B H 0.759294 0.701209 0.790603 0.184 Uiso 1 1 calc R U . . .
 H17C H 0.825151 0.640936 0.884016 0.184 Uiso 1 1 calc R U . . .
 C18 C 0.9436(3) 0.6435(3) 0.5174(2) 0.0772(8) Uani 1 1 d . . . . .
 H18 H 0.993160 0.697162 0.484931 0.093 Uiso 1 1 calc R U . . .
 C19 C 1.0689(4) 0.5678(5) 0.5579(3) 0.1114(14) Uani 1 1 d . . . . .
 H19A H 1.028295 0.516682 0.595341 0.167 Uiso 1 1 calc R U . . .
 H19B H 1.152040 0.604859 0.596637 0.167 Uiso 1 1 calc R U . . .
 H19C H 1.106514 0.533527 0.507489 0.167 Uiso 1 1 calc R U . . .
 C20 C 0.3430(4) 0.4577(3) 0.3009(3) 0.0920(10) Uani 1 1 d . . . . .
 H20A H 0.382009 0.409208 0.260418 0.138 Uiso 1 1 calc R U . . .
 H20B H 0.270013 0.503707 0.263550 0.138 Uiso 1 1 calc R U . . .
 H20C H 0.293056 0.420116 0.344336 0.138 Uiso 1 1 calc R U . . .
 C21 C 0.8726(6) 0.7002(4) 0.5903(3) 0.1114(14) Uani 1 1 d . . . . .
 H21A H 0.803618 0.753147 0.560030 0.167 Uiso 1 1 calc R U . . .
 H21B H 0.952680 0.732034 0.635756 0.167 Uiso 1 1 calc R U . . .
 H21C H 0.816389 0.651476 0.621534 0.167 Uiso 1 1 calc R U . . .
 C22 C 0.8135(4) 0.3575(2) 0.8571(2) 0.0742(7) Uani 1 1 d . . . . .
 H22 H 0.724174 0.386017 0.813813 0.089 Uiso 1 1 calc R U . . .
 C23 C 1.0656(5) 0.4629(5) 1.0545(4) 0.143(2) Uani 1 1 d . . . . .
 H23A H 1.093435 0.492446 0.998893 0.214 Uiso 1 1 calc R U . . .
 H23B H 1.156008 0.434855 1.094232 0.214 Uiso 1 1 calc R U . . .
 H23C H 1.021460 0.516093 1.088082 0.214 Uiso 1 1 calc R U . . .
 C24 C 0.4795(7) 0.6203(5) 0.7466(3) 0.134(2) Uani 1 1 d . . . . .
 H24A H 0.510651 0.647657 0.691119 0.201 Uiso 1 1 calc R U . . .
 H24B H 0.430968 0.674523 0.776567 0.201 Uiso 1 1 calc R U . . .
 H24C H 0.407794 0.564034 0.729209 0.201 Uiso 1 1 calc R U . . .
 C25 C 0.4676(4) 0.4296(4) 0.8660(4) 0.1042(12) Uani 1 1 d . . . . .
 H25A H 0.511167 0.387865 0.822348 0.156 Uiso 1 1 calc R U . . .
 H25B H 0.368912 0.455962 0.835424 0.156 Uiso 1 1 calc R U . . .
 H25C H 0.454911 0.387630 0.919143 0.156 Uiso 1 1 calc R U . . .
 C26 C 0.5055(4) 0.5960(3) 0.9645(2) 0.0903(10) Uani 1 1 d . . . . .
 H26A H 0.409647 0.567665 0.977544 0.108 Uiso 1 1 calc R U . . .
 H26B H 0.483815 0.663309 0.933960 0.108 Uiso 1 1 calc R U . . .
 B1 B 0.6894(4) 0.3771(3) 0.5623(2) 0.0689(7) Uani 1 1 d . . . . .
 B2 B 0.6275(7) 0.6091(5) 1.0599(3) 0.1126(19) 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 1.376(4) . ?
 F2 B2 1.404(8) . ?
 F3 B2 1.337(6) . ?
 F4 B1 1.381(4) . ?
 O1 C1 1.281(3) . ?
 O1 B1 1.544(4) . ?
 O2 C14 1.281(3) . ?
 O2 B2 1.548(5) . ?
 N1 C1 1.311(3) . ?
 N1 C12 1.482(3) . ?
 N1 C18 1.509(3) . ?
 N2 C5 1.491(4) . ?
 N2 C14 1.309(3) . ?
 N2 C22 1.495(3) . ?
 C1 C4 1.545(3) . ?
 C2 H2 0.9800 . ?
 C2 C16 1.556(4) . ?
 C2 C17 1.512(7) . ?
 C2 C24 1.527(5) . ?
 C3 H3A 0.9600 . ?
 C3 H3B 0.9600 . ?
 C3 H3C 0.9600 . ?
 C3 C22 1.501(5) . ?
 C4 C6 1.556(3) . ?
 C4 C7 1.555(4) . ?
 C4 C8 1.533(4) . ?
 C5 H5 0.9800 . ?
 C5 C9 1.509(7) . ?
 C5 C23 1.514(8) . ?
 C6 H6 0.9800 . ?
 C6 C15 1.528(5) . ?
 C6 C20 1.519(4) . ?
 C7 H7A 0.9700 . ?
 C7 H7B 0.9700 . ?
 C7 B1 1.577(4) . ?
 C8 H8A 0.9600 . ?
 C8 H8B 0.9600 . ?
 C8 H8C 0.9600 . ?
 C9 H9A 0.9600 . ?
 C9 H9B 0.9600 . ?
 C9 H9C 0.9600 . ?
 C10 H10A 0.9600 . ?
 C10 H10B 0.9600 . ?
 C10 H10C 0.9600 . ?
 C10 C12 1.513(4) . ?
 C11 H11A 0.9600 . ?
 C11 H11B 0.9600 . ?
 C11 H11C 0.9600 . ?
 C11 C12 1.510(5) . ?
 C12 H12 0.9800 . ?
 C13 H13A 0.9600 . ?
 C13 H13B 0.9600 . ?
 C13 H13C 0.9600 . ?
 C13 C22 1.516(5) . ?
 C14 C16 1.545(4) . ?
 C15 H15A 0.9600 . ?
 C15 H15B 0.9600 . ?
 C15 H15C 0.9600 . ?
 C16 C25 1.526(5) . ?
 C16 C26 1.548(4) . ?
 C17 H17A 0.9600 . ?
 C17 H17B 0.9600 . ?
 C17 H17C 0.9600 . ?
 C18 H18 0.9800 . ?
 C18 C19 1.503(6) . ?
 C18 C21 1.507(6) . ?
 C19 H19A 0.9600 . ?
 C19 H19B 0.9600 . ?
 C19 H19C 0.9600 . ?
 C20 H20A 0.9600 . ?
 C20 H20B 0.9600 . ?
 C20 H20C 0.9600 . ?
 C21 H21A 0.9600 . ?
 C21 H21B 0.9600 . ?
 C21 H21C 0.9600 . ?
 C22 H22 0.9800 . ?
 C23 H23A 0.9600 . ?
 C23 H23B 0.9600 . ?
 C23 H23C 0.9600 . ?
 C24 H24A 0.9600 . ?
 C24 H24B 0.9600 . ?
 C24 H24C 0.9600 . ?
 C25 H25A 0.9600 . ?
 C25 H25B 0.9600 . ?
 C25 H25C 0.9600 . ?
 C26 H26A 0.9700 . ?
 C26 H26B 0.9700 . ?
 C26 B2 1.590(6) . ?

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
 C1 O1 B1 112.4(2) . . ?
 C14 O2 B2 113.4(2) . . ?
 C1 N1 C12 123.8(2) . . ?
 C1 N1 C18 120.3(2) . . ?
 C12 N1 C18 115.9(2) . . ?
 C5 N2 C22 115.5(2) . . ?
 C14 N2 C5 120.5(2) . . ?
 C14 N2 C22 124.0(2) . . ?
 O1 C1 N1 117.8(2) . . ?
 O1 C1 C4 114.4(2) . . ?
 N1 C1 C4 127.8(2) . . ?
 C16 C2 H2 107.3 . . ?
 C17 C2 H2 107.3 . . ?
 C17 C2 C16 112.7(3) . . ?
 C17 C2 C24 110.3(4) . . ?
 C24 C2 H2 107.3 . . ?
 C24 C2 C16 111.7(4) . . ?
 H3A C3 H3B 109.5 . . ?
 H3A C3 H3C 109.5 . . ?
 H3B C3 H3C 109.5 . . ?
 C22 C3 H3A 109.5 . . ?
 C22 C3 H3B 109.5 . . ?
 C22 C3 H3C 109.5 . . ?
 C1 C4 C6 111.3(2) . . ?
 C1 C4 C7 101.78(19) . . ?
 C7 C4 C6 111.6(2) . . ?
 C8 C4 C1 109.8(2) . . ?
 C8 C4 C6 111.8(2) . . ?
 C8 C4 C7 110.2(2) . . ?
 N2 C5 H5 105.6 . . ?
 N2 C5 C9 111.9(4) . . ?
 N2 C5 C23 112.1(4) . . ?
 C9 C5 H5 105.6 . . ?
 C9 C5 C23 115.1(4) . . ?
 C23 C5 H5 105.6 . . ?
 C4 C6 H6 107.6 . . ?
 C15 C6 C4 111.6(3) . . ?
 C15 C6 H6 107.6 . . ?
 C20 C6 C4 112.1(3) . . ?
 C20 C6 H6 107.6 . . ?
 C20 C6 C15 110.2(3) . . ?
 C4 C7 H7A 110.2 . . ?
 C4 C7 H7B 110.2 . . ?
 C4 C7 B1 107.4(2) . . ?
 H7A C7 H7B 108.5 . . ?
 B1 C7 H7A 110.2 . . ?
 B1 C7 H7B 110.2 . . ?
 C4 C8 H8A 109.5 . . ?
 C4 C8 H8B 109.5 . . ?
 C4 C8 H8C 109.5 . . ?
 H8A C8 H8B 109.5 . . ?
 H8A C8 H8C 109.5 . . ?
 H8B C8 H8C 109.5 . . ?
 C5 C9 H9A 109.5 . . ?
 C5 C9 H9B 109.5 . . ?
 C5 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 C12 C10 H10A 109.5 . . ?
 C12 C10 H10B 109.5 . . ?
 C12 C10 H10C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 C12 C11 H11A 109.5 . . ?
 C12 C11 H11B 109.5 . . ?
 C12 C11 H11C 109.5 . . ?
 N1 C12 C10 111.0(2) . . ?
 N1 C12 C11 112.1(3) . . ?
 N1 C12 H12 107.2 . . ?
 C10 C12 H12 107.2 . . ?
 C11 C12 C10 111.8(3) . . ?
 C11 C12 H12 107.2 . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.5 . . ?
 C22 C13 H13A 109.5 . . ?
 C22 C13 H13B 109.5 . . ?
 C22 C13 H13C 109.5 . . ?
 O2 C14 N2 117.1(2) . . ?
 O2 C14 C16 114.5(2) . . ?
 N2 C14 C16 128.4(2) . . ?
 C6 C15 H15A 109.5 . . ?
 C6 C15 H15B 109.5 . . ?
 C6 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 C14 C16 C2 109.9(2) . . ?
 C14 C16 C26 101.9(2) . . ?
 C25 C16 C2 111.1(3) . . ?
 C25 C16 C14 110.2(3) . . ?
 C25 C16 C26 112.0(3) . . ?
 C26 C16 C2 111.4(3) . . ?
 C2 C17 H17A 109.5 . . ?
 C2 C17 H17B 109.5 . . ?
 C2 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 N1 C18 H18 106.1 . . ?
 C19 C18 N1 112.4(3) . . ?
 C19 C18 H18 106.1 . . ?
 C19 C18 C21 114.2(3) . . ?
 C21 C18 N1 111.2(3) . . ?
 C21 C18 H18 106.1 . . ?
 C18 C19 H19A 109.5 . . ?
 C18 C19 H19B 109.5 . . ?
 C18 C19 H19C 109.5 . . ?
 H19A C19 H19B 109.5 . . ?
 H19A C19 H19C 109.5 . . ?
 H19B C19 H19C 109.5 . . ?
 C6 C20 H20A 109.5 . . ?
 C6 C20 H20B 109.5 . . ?
 C6 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?
 C18 C21 H21A 109.5 . . ?
 C18 C21 H21B 109.5 . . ?
 C18 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 N2 C22 C3 111.9(3) . . ?
 N2 C22 C13 110.4(3) . . ?
 N2 C22 H22 107.2 . . ?
 C3 C22 C13 112.6(3) . . ?
 C3 C22 H22 107.2 . . ?
 C13 C22 H22 107.2 . . ?
 C5 C23 H23A 109.5 . . ?
 C5 C23 H23B 109.5 . . ?
 C5 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C2 C24 H24A 109.5 . . ?
 C2 C24 H24B 109.5 . . ?
 C2 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C16 C25 H25A 109.5 . . ?
 C16 C25 H25B 109.5 . . ?
 C16 C25 H25C 109.5 . . ?
 H25A C25 H25B 109.5 . . ?
 H25A C25 H25C 109.5 . . ?
 H25B C25 H25C 109.5 . . ?
 C16 C26 H26A 110.1 . . ?
 C16 C26 H26B 110.1 . . ?
 C16 C26 B2 108.0(3) . . ?
 H26A C26 H26B 108.4 . . ?
 B2 C26 H26A 110.1 . . ?
 B2 C26 H26B 110.1 . . ?
 F1 B1 F4 108.6(3) . . ?
 F1 B1 O1 107.1(3) . . ?
 F1 B1 C7 116.6(3) . . ?
 F4 B1 O1 105.2(2) . . ?
 F4 B1 C7 116.6(3) . . ?
 O1 B1 C7 101.6(2) . . ?
 F2 B2 O2 105.7(4) . . ?
 F2 B2 C26 117.3(4) . . ?
 F3 B2 F2 107.2(4) . . ?
 F3 B2 O2 106.5(4) . . ?
 F3 B2 C26 117.7(5) . . ?
 O2 B2 C26 101.1(3) . . ?

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 C4 C6 118.0(2) . . . . ?
 O1 C1 C4 C7 -1.0(3) . . . . ?
 O1 C1 C4 C8 -117.7(3) . . . . ?
 O2 C14 C16 C2 114.8(3) . . . . ?
 O2 C14 C16 C25 -122.5(3) . . . . ?
 O2 C14 C16 C26 -3.5(4) . . . . ?
 N1 C1 C4 C6 -63.4(3) . . . . ?
 N1 C1 C4 C7 177.7(3) . . . . ?
 N1 C1 C4 C8 61.0(3) . . . . ?
 N2 C14 C16 C2 -67.3(4) . . . . ?
 N2 C14 C16 C25 55.4(4) . . . . ?
 N2 C14 C16 C26 174.5(3) . . . . ?
 C1 O1 B1 F1 -138.4(2) . . . . ?
 C1 O1 B1 F4 106.2(3) . . . . ?
 C1 O1 B1 C7 -15.7(3) . . . . ?
 C1 N1 C12 C10 -112.9(3) . . . . ?
 C1 N1 C12 C11 121.3(3) . . . . ?
 C1 N1 C18 C19 61.0(3) . . . . ?
 C1 N1 C18 C21 -68.6(4) . . . . ?
 C1 C4 C6 C15 -47.7(3) . . . . ?
 C1 C4 C6 C20 -172.0(2) . . . . ?
 C1 C4 C7 B1 -8.9(3) . . . . ?
 C2 C16 C26 B2 -108.8(4) . . . . ?
 C4 C7 B1 F1 130.1(3) . . . . ?
 C4 C7 B1 F4 -99.5(3) . . . . ?
 C4 C7 B1 O1 14.2(3) . . . . ?
 C5 N2 C14 O2 2.4(5) . . . . ?
 C5 N2 C14 C16 -175.5(3) . . . . ?
 C5 N2 C22 C3 62.8(4) . . . . ?
 C5 N2 C22 C13 -63.5(4) . . . . ?
 C6 C4 C7 B1 -127.7(3) . . . . ?
 C7 C4 C6 C15 65.2(3) . . . . ?
 C7 C4 C6 C20 -59.0(3) . . . . ?
 C8 C4 C6 C15 -170.9(3) . . . . ?
 C8 C4 C6 C20 64.8(3) . . . . ?
 C8 C4 C7 B1 107.5(3) . . . . ?
 C12 N1 C1 O1 179.5(2) . . . . ?
 C12 N1 C1 C4 0.8(4) . . . . ?
 C12 N1 C18 C19 -117.1(3) . . . . ?
 C12 N1 C18 C21 113.3(3) . . . . ?
 C14 O2 B2 F2 -114.5(4) . . . . ?
 C14 O2 B2 F3 131.7(4) . . . . ?
 C14 O2 B2 C26 8.2(6) . . . . ?
 C14 N2 C5 C9 64.3(5) . . . . ?
 C14 N2 C5 C23 -66.8(4) . . . . ?
 C14 N2 C22 C3 -118.6(4) . . . . ?
 C14 N2 C22 C13 115.1(3) . . . . ?
 C14 C16 C26 B2 8.4(4) . . . . ?
 C16 C26 B2 F2 104.4(4) . . . . ?
 C16 C26 B2 F3 -125.4(4) . . . . ?
 C16 C26 B2 O2 -9.9(5) . . . . ?
 C17 C2 C16 C14 -55.3(4) . . . . ?
 C17 C2 C16 C25 -177.5(4) . . . . ?
 C17 C2 C16 C26 56.9(4) . . . . ?
 C18 N1 C1 O1 1.5(3) . . . . ?
 C18 N1 C1 C4 -177.1(2) . . . . ?
 C18 N1 C12 C10 65.1(3) . . . . ?
 C18 N1 C12 C11 -60.7(3) . . . . ?
 C22 N2 C5 C9 -117.0(4) . . . . ?
 C22 N2 C5 C23 111.8(4) . . . . ?
 C22 N2 C14 O2 -176.1(3) . . . . ?
 C22 N2 C14 C16 6.0(5) . . . . ?
 C24 C2 C16 C14 179.9(3) . . . . ?
 C24 C2 C16 C25 57.7(4) . . . . ?
 C24 C2 C16 C26 -67.9(4) . . . . ?
 C25 C16 C26 B2 126.1(4) . . . . ?
 B1 O1 C1 N1 -167.8(2) . . . . ?
 B1 O1 C1 C4 11.0(3) . . . . ?
 B2 O2 C14 N2 178.6(4) . . . . ?
 B2 O2 C14 C16 -3.2(5) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
