# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_exp_598
_database_code_depnum_ccdc_archive 'CCDC 2183954'
loop_
_audit_author_name
_audit_author_address
'Akihisa Matsuura'
;Osaka University
Japan
;
_audit_update_record             
;
2022-07-05 deposited with the CCDC.	2022-08-09 downloaded from the CCDC.
;
_audit_creation_date             2022-07-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H26 B N O3'
_chemical_formula_sum            'C17 H26 B N O3'
_chemical_formula_weight         303.20
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C17 H26 B1 N1 O3'
_chemical_oxdiff_usercomment     220704_MATSUURA_864_Mo
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'
B B 0.0013 0.0007 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.4832(3)
_cell_length_b                   11.8496(6)
_cell_length_c                   11.9710(5)
_cell_angle_alpha                70.722(4)
_cell_angle_beta                 85.965(4)
_cell_angle_gamma                89.751(4)
_cell_volume                     865.76(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4608
_cell_measurement_temperature    123
_cell_measurement_theta_max      30.2140
_cell_measurement_theta_min      2.9600
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.980
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             328
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.259
_exptl_crystal_size_mid          0.203
_exptl_crystal_size_min          0.147
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.794
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12100
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.794
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.664
_diffrn_reflns_theta_min         1.821
_diffrn_ambient_temperature      123
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.794
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -3.00  60.00   0.50    7.38    --   -4.17  68.00-125.00  126
  2  ω    -26.00  29.00   0.50    7.38    --   -4.17 -99.00 -60.00  110
  3  ω    -19.00  25.00   0.50    7.38    --    4.56 -99.00 -90.00   88
  4  ω    -26.00  29.00   0.50    7.38    --   -4.17 -99.00-180.00  110
  5  ω    -67.00 -16.00   0.50    7.38    --    4.56 -38.00-150.00  102
  6  ω    -13.00  26.00   0.50    7.38    --   -4.17 -99.00  90.00   78
  7  ω    -76.00  10.00   0.50    7.38    --   -4.17 -68.00 101.00  172
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at offset/far, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0468686000
_diffrn_orient_matrix_UB_12      0.0101985000
_diffrn_orient_matrix_UB_13      0.0476877000
_diffrn_orient_matrix_UB_21      -0.0542786000
_diffrn_orient_matrix_UB_22      0.0541858000
_diffrn_orient_matrix_UB_23      -0.0103352000
_diffrn_orient_matrix_UB_31      -0.0830139000
_diffrn_orient_matrix_UB_32      -0.0313516000
_diffrn_orient_matrix_UB_33      0.0397545000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3002
_reflns_number_total             4253
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.97
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_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  (Sheldrick, 2015)'
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.209
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     206
_refine_ls_number_reflns         4253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0544
_refine_ls_restrained_S_all      1.053
_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)+(0.0641P)²+0.2077P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1331
_refine_ls_wR_factor_ref         0.1454
_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 Ternary CH refined with riding coordinates:
 C16(H16)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C2(H2), C3(H3), C6(H6)
2.c Idealised Me refined as rotating group:
 C22(H22a,H22b,H22c), C15(H15a,H15b,H15c), C14(H14a,H14b,H14c), C12(H12a,H12b,
 H12c), C19(H19a,H19b,H19c), C13(H13a,H13b,H13c), C20(H20a,H20b,H20c)
;
_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
O11 O 0.46247(16) 0.19060(10) 0.52004(10) 0.0251(3) Uani 1 1 d . . . . .
O8 O 0.14577(16) 0.21730(10) 0.44290(9) 0.0255(3) Uani 1 1 d . . . . .
O21 O 1.04584(18) 0.29204(11) -0.10302(11) 0.0327(3) Uani 1 1 d . . . . .
N18 N 0.8000(2) 0.43076(13) -0.14832(13) 0.0315(3) Uani 1 1 d . . . . .
C1 C 0.4485(2) 0.20381(13) 0.30063(13) 0.0213(3) Uani 1 1 d . . . . .
C4 C 0.6071(2) 0.21797(13) 0.07063(13) 0.0212(3) Uani 1 1 d . . . . .
C17 C 0.8616(2) 0.31703(15) -0.10319(13) 0.0240(3) Uani 1 1 d . . . . .
C16 C 0.6948(2) 0.21895(14) -0.05082(13) 0.0227(3) Uani 1 1 d . . . . .
H16 H 0.580003 0.234496 -0.105253 0.027 Uiso 1 1 calc R U . . .
C5 C 0.7381(2) 0.22952(14) 0.15413(14) 0.0230(3) Uani 1 1 d . . . . .
H5 H 0.882306 0.242260 0.133172 0.028 Uiso 1 1 calc R U . . .
C2 C 0.3200(2) 0.19180(14) 0.21610(14) 0.0230(3) Uani 1 1 d . . . . .
H2 H 0.175784 0.178604 0.236701 0.028 Uiso 1 1 calc R U . . .
C3 C 0.3970(2) 0.19860(14) 0.10313(14) 0.0228(3) Uani 1 1 d . . . . .
H3 H 0.305776 0.189966 0.047635 0.027 Uiso 1 1 calc R U . . .
C10 C 0.3214(2) 0.21503(15) 0.61000(14) 0.0241(3) Uani 1 1 d . . . . .
C6 C 0.6604(2) 0.22262(14) 0.26757(14) 0.0228(3) Uani 1 1 d . . . . .
H6 H 0.751956 0.230743 0.323152 0.027 Uiso 1 1 calc R U . . .
C9 C 0.1031(2) 0.19622(15) 0.57013(14) 0.0245(3) Uani 1 1 d . . . . .
C22 C 0.7854(3) 0.09739(15) -0.04129(16) 0.0314(4) Uani 1 1 d . . . . .
H22A H 0.899201 0.081444 0.011176 0.047 Uiso 1 1 calc R U . . .
H22B H 0.837389 0.097572 -0.120227 0.047 Uiso 1 1 calc R U . . .
H22C H 0.677769 0.035057 -0.008710 0.047 Uiso 1 1 calc R U . . .
C15 C 0.3648(3) 0.34288(17) 0.60339(19) 0.0353(4) Uani 1 1 d . . . . .
H15A H 0.510253 0.351830 0.616940 0.053 Uiso 1 1 calc R U . . .
H15B H 0.276119 0.361968 0.664199 0.053 Uiso 1 1 calc R U . . .
H15C H 0.336086 0.397430 0.524758 0.053 Uiso 1 1 calc R U . . .
C14 C -0.0581(3) 0.28398(18) 0.58488(17) 0.0344(4) Uani 1 1 d . . . . .
H14A H -0.011069 0.365530 0.538354 0.052 Uiso 1 1 calc R U . . .
H14B H -0.078880 0.276841 0.668838 0.052 Uiso 1 1 calc R U . . .
H14C H -0.188831 0.266372 0.556988 0.052 Uiso 1 1 calc R U . . .
C12 C 0.3690(3) 0.12923(18) 0.73058(16) 0.0356(4) Uani 1 1 d . . . . .
H12A H 0.352798 0.046752 0.731455 0.053 Uiso 1 1 calc R U . . .
H12B H 0.273504 0.142423 0.792049 0.053 Uiso 1 1 calc R U . . .
H12C H 0.511496 0.143125 0.746090 0.053 Uiso 1 1 calc R U . . .
C19 C 0.5870(3) 0.47006(16) -0.15269(18) 0.0366(4) Uani 1 1 d . . . . .
H19A H 0.553275 0.503891 -0.235595 0.055 Uiso 1 1 calc R U . . .
H19B H 0.569848 0.531056 -0.114122 0.055 Uiso 1 1 calc R U . . .
H19C H 0.494234 0.401697 -0.111298 0.055 Uiso 1 1 calc R U . . .
C13 C 0.0187(3) 0.06873(17) 0.62372(16) 0.0366(4) Uani 1 1 d . . . . .
H13A H -0.107025 0.060371 0.585978 0.055 Uiso 1 1 calc R U . . .
H13B H -0.013937 0.050422 0.709121 0.055 Uiso 1 1 calc R U . . .
H13C H 0.122601 0.013231 0.610619 0.055 Uiso 1 1 calc R U . . .
B7 B 0.3529(3) 0.20246(15) 0.42368(16) 0.0212(4) Uani 1 1 d . . . . .
C20 C 0.9582(3) 0.52524(18) -0.1942(2) 0.0490(5) Uani 1 1 d . . . . .
H20A H 0.966103 0.569750 -0.138572 0.074 Uiso 1 1 calc R U . . .
H20B H 0.922343 0.579729 -0.271378 0.074 Uiso 1 1 calc R U . . .
H20C H 1.092390 0.489643 -0.203284 0.074 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
O11 C10 1.4644(18) . ?
O11 B7 1.365(2) . ?
O8 C9 1.4658(18) . ?
O8 B7 1.367(2) . ?
O21 C17 1.2292(19) . ?
N18 C17 1.346(2) . ?
N18 C19 1.455(2) . ?
N18 C20 1.460(2) . ?
C1 C2 1.398(2) . ?
C1 C6 1.401(2) . ?
C1 B7 1.553(2) . ?
C4 C16 1.520(2) . ?
C4 C5 1.397(2) . ?
C4 C3 1.388(2) . ?
C17 C16 1.533(2) . ?
C16 H16 1.0000 . ?
C16 C22 1.525(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.391(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.385(2) . ?
C3 H3 0.9500 . ?
C10 C9 1.565(2) . ?
C10 C15 1.517(2) . ?
C10 C12 1.518(2) . ?
C6 H6 0.9500 . ?
C9 C14 1.514(2) . ?
C9 C13 1.520(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 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
B7 O11 C10 107.27(12) . . ?
B7 O8 C9 107.43(12) . . ?
C17 N18 C19 125.83(15) . . ?
C17 N18 C20 118.31(15) . . ?
C19 N18 C20 115.84(15) . . ?
C2 C1 C6 117.64(14) . . ?
C2 C1 B7 119.77(14) . . ?
C6 C1 B7 122.51(14) . . ?
C5 C4 C16 120.48(13) . . ?
C3 C4 C16 120.68(13) . . ?
C3 C4 C5 118.73(14) . . ?
O21 C17 N18 121.37(15) . . ?
O21 C17 C16 120.66(14) . . ?
N18 C17 C16 117.96(14) . . ?
C4 C16 C17 111.33(12) . . ?
C4 C16 H16 108.6 . . ?
C4 C16 C22 109.78(13) . . ?
C17 C16 H16 108.6 . . ?
C22 C16 C17 109.73(13) . . ?
C22 C16 H16 108.6 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.88(14) . . ?
C6 C5 H5 119.6 . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.82(14) . . ?
C3 C2 H2 119.1 . . ?
C4 C3 H3 119.9 . . ?
C2 C3 C4 120.29(14) . . ?
C2 C3 H3 119.9 . . ?
O11 C10 C9 102.94(12) . . ?
O11 C10 C15 106.96(13) . . ?
O11 C10 C12 108.07(13) . . ?
C15 C10 C9 113.37(14) . . ?
C15 C10 C12 110.11(14) . . ?
C12 C10 C9 114.72(14) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.64(14) . . ?
C5 C6 H6 119.7 . . ?
O8 C9 C10 102.42(11) . . ?
O8 C9 C14 108.14(13) . . ?
O8 C9 C13 106.27(13) . . ?
C14 C9 C10 114.95(14) . . ?
C14 C9 C13 110.41(14) . . ?
C13 C9 C10 113.81(14) . . ?
C16 C22 H22A 109.5 . . ?
C16 C22 H22B 109.5 . . ?
C16 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N18 C19 H19A 109.5 . . ?
N18 C19 H19B 109.5 . . ?
N18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O11 B7 O8 113.82(14) . . ?
O11 B7 C1 124.83(14) . . ?
O8 B7 C1 121.33(14) . . ?
N18 C20 H20A 109.5 . . ?
N18 C20 H20B 109.5 . . ?
N18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 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
O11 C10 C9 O8 -24.27(15) . . . . ?
O11 C10 C9 C14 -141.27(14) . . . . ?
O11 C10 C9 C13 89.99(15) . . . . ?
O21 C17 C16 C4 103.35(17) . . . . ?
O21 C17 C16 C22 -18.4(2) . . . . ?
N18 C17 C16 C4 -76.21(18) . . . . ?
N18 C17 C16 C22 162.06(14) . . . . ?
C1 C2 C3 C4 -0.1(2) . . . . ?
C4 C5 C6 C1 0.0(2) . . . . ?
C16 C4 C5 C6 -176.69(14) . . . . ?
C16 C4 C3 C2 176.71(14) . . . . ?
C5 C4 C16 C17 -43.56(19) . . . . ?
C5 C4 C16 C22 78.15(18) . . . . ?
C5 C4 C3 C2 0.4(2) . . . . ?
C2 C1 C6 C5 0.3(2) . . . . ?
C2 C1 B7 O11 166.91(15) . . . . ?
C2 C1 B7 O8 -15.2(2) . . . . ?
C3 C4 C16 C17 140.25(15) . . . . ?
C3 C4 C16 C22 -98.04(17) . . . . ?
C3 C4 C5 C6 -0.4(2) . . . . ?
C10 O11 B7 O8 -7.92(18) . . . . ?
C10 O11 B7 C1 170.11(14) . . . . ?
C6 C1 C2 C3 -0.3(2) . . . . ?
C6 C1 B7 O11 -16.3(2) . . . . ?
C6 C1 B7 O8 161.59(15) . . . . ?
C9 O8 B7 O11 -8.98(18) . . . . ?
C9 O8 B7 C1 172.91(13) . . . . ?
C15 C10 C9 O8 90.91(15) . . . . ?
C15 C10 C9 C14 -26.1(2) . . . . ?
C15 C10 C9 C13 -154.84(15) . . . . ?
C12 C10 C9 O8 -141.41(14) . . . . ?
C12 C10 C9 C14 101.58(17) . . . . ?
C12 C10 C9 C13 -27.2(2) . . . . ?
C19 N18 C17 O21 -179.84(16) . . . . ?
C19 N18 C17 C16 -0.3(2) . . . . ?
B7 O11 C10 C9 19.96(15) . . . . ?
B7 O11 C10 C15 -99.75(15) . . . . ?
B7 O11 C10 C12 141.72(14) . . . . ?
B7 O8 C9 C10 20.47(15) . . . . ?
B7 O8 C9 C14 142.25(14) . . . . ?
B7 O8 C9 C13 -99.20(15) . . . . ?
B7 C1 C2 C3 176.64(14) . . . . ?
B7 C1 C6 C5 -176.53(14) . . . . ?
C20 N18 C17 O21 -1.9(3) . . . . ?
C20 N18 C17 C16 177.64(16) . . . . ?

_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 2.121
_oxdiff_exptl_absorpt_empirical_full_min 0.627
