# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

data_20190408chenyimin-1-3
_audit_creation_date               2019-04-09
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2014/7'
_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           'C22 H20 B F2 N3 O'
_chemical_formula_sum              'C22 H20 B F2 N3 O'
_chemical_formula_weight           391.22
_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        '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                     7.9478(6)
_cell_length_b                     8.3539(5)
_cell_length_c                     14.6488(10)
_cell_angle_alpha                  74.878(6)
_cell_angle_beta                   76.982(6)
_cell_angle_gamma                  83.501(6)
_cell_volume                       913.27(11)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      2094
_cell_measurement_temperature      173.00(10)
_cell_measurement_theta_max        75.4040
_cell_measurement_theta_min        5.4810
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.843
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.87793
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear dark red'
_exptl_crystal_density_diffrn      1.423
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         needle
_exptl_crystal_F_000               408
_exptl_crystal_size_max            0.2
_exptl_crystal_size_mid            0.05
_exptl_crystal_size_min            0.02
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0264
_diffrn_reflns_av_unetI/netI       0.0456
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.962
_diffrn_reflns_limit_h_max         10
_diffrn_reflns_limit_h_min         -9
_diffrn_reflns_limit_k_max         10
_diffrn_reflns_limit_k_min         -10
_diffrn_reflns_limit_l_max         13
_diffrn_reflns_limit_l_min         -18
_diffrn_reflns_number              6123
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.962
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           75.965
_diffrn_reflns_theta_min           5.495
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        173.00(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   5.2137
_diffrn_detector_type              AtlasS2
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.962
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -65.00  -4.00   1.00    2.67    --  -40.81 125.00 -30.00   61
  2  ω    -64.00  33.00   1.00    2.67    --  -40.81  38.00 -90.00   97
  3  ω   -113.00 -20.00   1.00    2.67    --  -40.81 -44.00 101.00   93
  4  ω      5.00  55.00   1.00    2.67    --   40.81 -99.00 -30.00   50
  5  ω     55.00  97.00   1.00    2.67    --   40.81-125.00-180.00   42
  6  ω    120.00 167.00   1.00   10.67    --  110.27 125.00-150.00   47
  7  ω     54.00 135.00   1.00   10.67    --  110.27 -45.00 120.00   81
  8  ω     56.00  81.00   1.00   10.67    --  110.27 -30.00-180.00   25
  9  ω     60.00 105.00   1.00   10.67    --  110.27 -95.00 -30.00   45
 10  ω    102.00 137.00   1.00   10.67    --  110.27 -30.00  30.00   35
 11  ω     68.00  94.00   1.00   10.67    --  110.27 -30.00  30.00   26
 12  ω     74.00 178.00   1.00   10.67    --  110.27  15.00 120.00  104
 13  ω     59.00 108.00   1.00   10.67    --  110.27 -95.00-120.00   49
 14  ω     29.00 108.00   1.00   10.67    --  110.27 -95.00  30.00   79
 15  ω     94.00 126.00   1.00   10.67    --  110.27 125.00 120.00   32
 16  ω     60.00 132.00   1.00   10.67    --  110.27 -45.00-150.00   72
 17  ω     98.00 178.00   1.00   10.67    --  110.27  77.00-180.00   80
 18  ω     36.00 106.00   1.00   10.67    --  110.27 -95.00 150.00   70
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.1384417000
_diffrn_orient_matrix_UB_12        0.0214511000
_diffrn_orient_matrix_UB_13        -0.0615379000
_diffrn_orient_matrix_UB_21        -0.0323925000
_diffrn_orient_matrix_UB_22        0.1839474000
_diffrn_orient_matrix_UB_23        0.0032770000
_diffrn_orient_matrix_UB_31        0.1396374000
_diffrn_orient_matrix_UB_32        0.0481364000
_diffrn_orient_matrix_UB_33        -0.0926595000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2860
_reflns_number_total               3674
_reflns_odcompleteness_completeness  99.97
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       67.79
_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 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection         'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction          'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.325
_refine_diff_density_min           -0.260
_refine_diff_density_rms           0.053
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       264
_refine_ls_number_reflns           3674
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0623
_refine_ls_R_factor_gt             0.0467
_refine_ls_restrained_S_all        1.027
_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)+(0.0675P)²+0.0497P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1206
_refine_ls_wR_factor_ref           0.1332
_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:
 C00A(H00A), C00B(H00B), C00D(H00D), C00E(H00E), C00F(H00F), C00G(H00G),
 C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q)
2.b Idealised Me refined as rotating group:
 C00R(H00C,H00H,H00I), C00S(H00R,H00S,H00T)
;
_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
 F001 F 0.49980(15) 0.77996(13) 0.15810(7) 0.0346(3) Uani 1 1 d . . . . .
 F002 F 0.74072(14) 0.68746(12) 0.21885(8) 0.0354(3) Uani 1 1 d . . . . .
 O003 O 0.47185(17) 0.66538(14) 0.32256(8) 0.0311(3) Uani 1 1 d . . . . .
 N004 N 0.42389(18) 0.86606(17) 0.41122(10) 0.0260(3) Uani 1 1 d . . . . .
 N005 N 0.59298(17) 0.94300(16) 0.25113(9) 0.0220(3) Uani 1 1 d . . . . .
 N006 N -0.2678(2) -0.3027(2) 0.83928(11) 0.0375(4) Uani 1 1 d . . . . .
 C007 C 0.6851(2) 1.06371(18) 0.17793(11) 0.0229(3) Uani 1 1 d . . . . .
 C008 C 0.5199(2) 0.97550(19) 0.33767(11) 0.0231(3) Uani 1 1 d . . . . .
 C009 C 0.0323(2) 0.0675(2) 0.63513(11) 0.0246(3) Uani 1 1 d . . . . .
 C00A C 0.5414(2) 1.1298(2) 0.35660(11) 0.0262(3) Uani 1 1 d . . . . .
 H00A H 0.4941 1.1489 0.4172 0.031 Uiso 1 1 calc R . . . .
 C00B C 0.7590(2) 1.0342(2) 0.08663(12) 0.0277(3) Uani 1 1 d . . . . .
 H00B H 0.7487 0.9322 0.0746 0.033 Uiso 1 1 calc R . . . .
 C00C C 0.4028(2) 0.7195(2) 0.40033(12) 0.0255(3) Uani 1 1 d . . . . .
 C00D C 0.1608(2) 0.3458(2) 0.56111(12) 0.0275(3) Uani 1 1 d . . . . .
 H00D H 0.1085 0.3854 0.6151 0.033 Uiso 1 1 calc R . . . .
 C00E C 0.2649(2) 0.4532(2) 0.48118(12) 0.0264(3) Uani 1 1 d . . . . .
 H00E H 0.3134 0.4132 0.4269 0.032 Uiso 1 1 calc R . . . .
 C00F C 0.0235(2) -0.0888(2) 0.61850(11) 0.0268(3) Uani 1 1 d . . . . .
 H00F H 0.0856 -0.1110 0.5608 0.032 Uiso 1 1 calc R . . . .
 C00G C 0.1358(2) 0.1890(2) 0.56086(12) 0.0267(3) Uani 1 1 d . . . . .
 H00G H 0.1923 0.1543 0.5059 0.032 Uiso 1 1 calc R . . . .
 C00H C 0.7037(2) 1.21943(19) 0.19493(12) 0.0244(3) Uani 1 1 d . . . . .
 C00I C -0.1688(2) -0.1834(2) 0.77327(11) 0.0262(3) Uani 1 1 d . . . . .
 C00J C 0.7954(2) 1.3415(2) 0.12021(12) 0.0289(4) Uani 1 1 d . . . . .
 H00J H 0.8083 1.4437 0.1312 0.035 Uiso 1 1 calc R . . . .
 C00K C -0.0738(2) -0.2111(2) 0.68446(12) 0.0285(3) Uani 1 1 d . . . . .
 H00K H -0.0768 -0.3128 0.6703 0.034 Uiso 1 1 calc R . . . .
 C00L C -0.1596(2) -0.0263(2) 0.79121(12) 0.0289(4) Uani 1 1 d . . . . .
 H00L H -0.2199 -0.0043 0.8493 0.035 Uiso 1 1 calc R . . . .
 C00M C -0.0623(2) 0.0949(2) 0.72370(12) 0.0288(4) Uani 1 1 d . . . . .
 H00M H -0.0594 0.1972 0.7372 0.035 Uiso 1 1 calc R . . . .
 C00N C 0.2972(2) 0.6090(2) 0.47970(12) 0.0283(3) Uani 1 1 d . . . . .
 H00N H 0.2476 0.6483 0.5341 0.034 Uiso 1 1 calc R . . . .
 C00O C 0.6300(2) 1.24895(19) 0.28713(12) 0.0264(3) Uani 1 1 d . . . . .
 H00O H 0.6425 1.3499 0.2998 0.032 Uiso 1 1 calc R . . . .
 C00P C 0.8463(2) 1.1561(2) 0.01524(12) 0.0310(4) Uani 1 1 d . . . . .
 H00P H 0.8935 1.1359 -0.0451 0.037 Uiso 1 1 calc R . . . .
 C00Q C 0.8656(2) 1.3105(2) 0.03161(12) 0.0311(4) Uani 1 1 d . . . . .
 H00Q H 0.9256 1.3914 -0.0174 0.037 Uiso 1 1 calc R . . . .
 C00R C -0.2738(3) -0.4623(2) 0.81945(13) 0.0398(5) Uani 1 1 d . . . . .
 H00C H -0.3140 -0.4469 0.7605 0.060 Uiso 1 1 calc GR . . . .
 H00H H -0.3513 -0.5296 0.8716 0.060 Uiso 1 1 calc GR . . . .
 H00I H -0.1601 -0.5165 0.8131 0.060 Uiso 1 1 calc GR . . . .
 C00S C -0.3434(3) -0.2816(2) 0.93557(12) 0.0357(4) Uani 1 1 d . . . . .
 H00R H -0.2532 -0.2709 0.9671 0.053 Uiso 1 1 calc GR . . . .
 H00S H -0.4075 -0.3764 0.9722 0.053 Uiso 1 1 calc GR . . . .
 H00T H -0.4197 -0.1834 0.9311 0.053 Uiso 1 1 calc GR . . . .
 B00T B 0.5770(3) 0.7647(2) 0.23552(13) 0.0254(4) 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
 F001 B00T 1.378(2) . ?
 F002 B00T 1.385(2) . ?
 O003 C00C 1.317(2) . ?
 O003 B00T 1.462(2) . ?
 N004 C008 1.361(2) . ?
 N004 C00C 1.309(2) . ?
 N005 C007 1.397(2) . ?
 N005 C008 1.353(2) . ?
 N005 B00T 1.587(2) . ?
 N006 C00I 1.371(2) . ?
 N006 C00R 1.445(2) . ?
 N006 C00S 1.452(2) . ?
 C007 C00B 1.407(2) . ?
 C007 C00H 1.416(2) . ?
 C008 C00A 1.423(2) . ?
 C009 C00F 1.402(2) . ?
 C009 C00G 1.449(2) . ?
 C009 C00M 1.406(2) . ?
 C00A H00A 0.9300 . ?
 C00A C00O 1.352(2) . ?
 C00B H00B 0.9300 . ?
 C00B C00P 1.375(2) . ?
 C00C C00N 1.444(2) . ?
 C00D H00D 0.9300 . ?
 C00D C00E 1.430(2) . ?
 C00D C00G 1.348(2) . ?
 C00E H00E 0.9300 . ?
 C00E C00N 1.348(2) . ?
 C00F H00F 0.9300 . ?
 C00F C00K 1.379(2) . ?
 C00G H00G 0.9300 . ?
 C00H C00J 1.413(2) . ?
 C00H C00O 1.419(2) . ?
 C00I C00K 1.411(2) . ?
 C00I C00L 1.417(2) . ?
 C00J H00J 0.9300 . ?
 C00J C00Q 1.371(2) . ?
 C00K H00K 0.9300 . ?
 C00L H00L 0.9300 . ?
 C00L C00M 1.383(2) . ?
 C00M H00M 0.9300 . ?
 C00N H00N 0.9300 . ?
 C00O H00O 0.9300 . ?
 C00P H00P 0.9300 . ?
 C00P C00Q 1.402(2) . ?
 C00Q H00Q 0.9300 . ?
 C00R H00C 0.9600 . ?
 C00R H00H 0.9600 . ?
 C00R H00I 0.9600 . ?
 C00S H00R 0.9600 . ?
 C00S H00S 0.9600 . ?
 C00S H00T 0.9600 . ?

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
 C00C O003 B00T 123.97(13) . . ?
 C00C N004 C008 119.56(14) . . ?
 C007 N005 B00T 120.87(12) . . ?
 C008 N005 C007 120.09(13) . . ?
 C008 N005 B00T 119.02(13) . . ?
 C00I N006 C00R 120.01(15) . . ?
 C00I N006 C00S 120.49(15) . . ?
 C00R N006 C00S 118.69(15) . . ?
 N005 C007 C00B 121.14(13) . . ?
 N005 C007 C00H 119.86(14) . . ?
 C00B C007 C00H 119.00(14) . . ?
 N004 C008 C00A 115.99(14) . . ?
 N005 C008 N004 123.36(14) . . ?
 N005 C008 C00A 120.65(14) . . ?
 C00F C009 C00G 118.51(14) . . ?
 C00F C009 C00M 116.80(14) . . ?
 C00M C009 C00G 124.69(14) . . ?
 C008 C00A H00A 119.7 . . ?
 C00O C00A C008 120.51(15) . . ?
 C00O C00A H00A 119.7 . . ?
 C007 C00B H00B 120.0 . . ?
 C00P C00B C007 120.01(15) . . ?
 C00P C00B H00B 120.0 . . ?
 O003 C00C C00N 117.75(14) . . ?
 N004 C00C O003 124.74(15) . . ?
 N004 C00C C00N 117.51(14) . . ?
 C00E C00D H00D 118.9 . . ?
 C00G C00D H00D 118.9 . . ?
 C00G C00D C00E 122.23(16) . . ?
 C00D C00E H00E 118.0 . . ?
 C00N C00E C00D 124.05(16) . . ?
 C00N C00E H00E 118.0 . . ?
 C009 C00F H00F 118.8 . . ?
 C00K C00F C009 122.48(15) . . ?
 C00K C00F H00F 118.8 . . ?
 C009 C00G H00G 115.8 . . ?
 C00D C00G C009 128.45(15) . . ?
 C00D C00G H00G 115.8 . . ?
 C007 C00H C00O 119.02(14) . . ?
 C00J C00H C007 119.52(14) . . ?
 C00J C00H C00O 121.46(14) . . ?
 N006 C00I C00K 121.50(15) . . ?
 N006 C00I C00L 121.17(15) . . ?
 C00K C00I C00L 117.33(14) . . ?
 C00H C00J H00J 119.7 . . ?
 C00Q C00J C00H 120.54(15) . . ?
 C00Q C00J H00J 119.7 . . ?
 C00F C00K C00I 120.67(14) . . ?
 C00F C00K H00K 119.7 . . ?
 C00I C00K H00K 119.7 . . ?
 C00I C00L H00L 119.5 . . ?
 C00M C00L C00I 121.02(15) . . ?
 C00M C00L H00L 119.5 . . ?
 C009 C00M H00M 119.1 . . ?
 C00L C00M C009 121.71(15) . . ?
 C00L C00M H00M 119.1 . . ?
 C00C C00N H00N 117.4 . . ?
 C00E C00N C00C 125.17(15) . . ?
 C00E C00N H00N 117.4 . . ?
 C00A C00O C00H 119.83(14) . . ?
 C00A C00O H00O 120.1 . . ?
 C00H C00O H00O 120.1 . . ?
 C00B C00P H00P 119.3 . . ?
 C00B C00P C00Q 121.30(15) . . ?
 C00Q C00P H00P 119.3 . . ?
 C00J C00Q C00P 119.63(15) . . ?
 C00J C00Q H00Q 120.2 . . ?
 C00P C00Q H00Q 120.2 . . ?
 N006 C00R H00C 109.5 . . ?
 N006 C00R H00H 109.5 . . ?
 N006 C00R H00I 109.5 . . ?
 H00C C00R H00H 109.5 . . ?
 H00C C00R H00I 109.5 . . ?
 H00H C00R H00I 109.5 . . ?
 N006 C00S H00R 109.5 . . ?
 N006 C00S H00S 109.5 . . ?
 N006 C00S H00T 109.5 . . ?
 H00R C00S H00S 109.5 . . ?
 H00R C00S H00T 109.5 . . ?
 H00S C00S H00T 109.5 . . ?
 F001 B00T F002 110.09(14) . . ?
 F001 B00T O003 109.34(14) . . ?
 F001 B00T N005 109.95(14) . . ?
 F002 B00T O003 109.21(14) . . ?
 F002 B00T N005 109.00(13) . . ?
 O003 B00T N005 109.22(13) . . ?

_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  1.403
_oxdiff_exptl_absorpt_empirical_full_min  0.751
