data_cd1937b
_audit_creation_date               2019-12-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2016/6'
_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           'C20 H30 B N O4'
_chemical_formula_sum              'C20 H30 B N O4'
_chemical_formula_weight           359.26
_chemical_melting_point            ?
_chemical_oxdiff_formula           B2O2N2C20H20
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        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     13.4325(4)
_cell_length_b                     9.9472(3)
_cell_length_c                     15.5089(5)
_cell_angle_alpha                  90
_cell_angle_beta                   101.160(3)
_cell_angle_gamma                  90
_cell_volume                       2033.05(11)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      12554
_cell_measurement_temperature      98(2)
_cell_measurement_theta_max        28.0200
_cell_measurement_theta_min        2.4190
_shelx_estimated_absorpt_T_max     0.992
_shelx_estimated_absorpt_T_min     0.984
_exptl_absorpt_coefficient_mu      0.080
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.94243
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.59a (Rigaku Oxford Diffraction, 2019)
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      1.174
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               776
_exptl_crystal_size_max            0.2
_exptl_crystal_size_mid            0.15
_exptl_crystal_size_min            0.1
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0601
_diffrn_reflns_av_unetI/netI       0.0312
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  1.000
_diffrn_reflns_limit_h_max         16
_diffrn_reflns_limit_h_min         -16
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -12
_diffrn_reflns_limit_l_max         19
_diffrn_reflns_limit_l_min         -19
_diffrn_reflns_number              50780
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  1.000
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           25.997
_diffrn_reflns_theta_min           2.446
_diffrn_ambient_temperature        98(2)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -96.00  17.00   1.00   58.00    --   -7.50 -38.00  30.00  113
  2  ω    -37.00  81.00   1.00   58.00    --   -7.50  57.00-180.00  118
  3  ω    -32.00  81.00   1.00   58.00    --   -7.50  38.00 -90.00  113
  4  ω    -46.00  81.00   1.00   58.00    --   -7.50  19.00  30.00  127
  5  ω    -96.00  25.00   1.00   58.00    --   -7.50 -72.00-120.00  121
  6  ω    -37.00  81.00   1.00   58.00    --   -7.50  57.00  30.00  118
  7  ω    -37.00  11.00   1.00   58.00    --   -7.50  57.00 -30.00   48
  8  ω    -32.00  81.00   1.00   58.00    --   -7.50  38.00 120.00  113
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0531995000
_diffrn_orient_matrix_UB_12        0.0090356000
_diffrn_orient_matrix_UB_13        -0.0128658000
_diffrn_orient_matrix_UB_21        0.0082519000
_diffrn_orient_matrix_UB_22        0.0575194000
_diffrn_orient_matrix_UB_23        -0.0246955000
_diffrn_orient_matrix_UB_31        -0.0001493000
_diffrn_orient_matrix_UB_32        -0.0411516000
_diffrn_orient_matrix_UB_33        -0.0373801000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Rotating-anode X-ray tube'
_diffrn_source_type                'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3580
_reflns_number_total               4006
_reflns_odcompleteness_completeness  99.91
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       26.32
_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 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_collection         'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_computing_data_reduction          'CrysAlisPro 1.171.40.59a (Rigaku OD, 2019)'
_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           0.212
_refine_diff_density_min           -0.219
_refine_diff_density_rms           0.038
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.057
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       240
_refine_ls_number_reflns           4006
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0690
_refine_ls_R_factor_gt             0.0578
_refine_ls_restrained_S_all        1.057
_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)+(0.0273P)²+1.7500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1043
_refine_ls_wR_factor_ref           0.1092
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B), C15(H15A,H15B), C14(H14A,H14B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C2(H2), C4(H4), C6(H6), C5(H5)
2.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C12(H12A,H12B,H12C), C20(H20A,H20B,H20C), C10(H10A,H10B,
 H10C), C11(H11A,H11B,H11C)
;
_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
 O2 O 0.12377(9) 0.27577(12) 0.21738(8) 0.0221(3) Uani 1 1 d . . . . .
 O1 O 0.10846(9) 0.39636(12) 0.08973(8) 0.0221(3) Uani 1 1 d . . . . .
 O4 O 0.68011(10) 0.78457(12) 0.99756(8) 0.0240(3) Uani 1 1 d . . . . .
 O3 O 0.42405(11) 0.76044(13) 0.50739(8) 0.0297(3) Uani 1 1 d . . . . .
 N1 N 0.34136(11) 0.56634(14) 0.45811(9) 0.0193(3) Uani 1 1 d . . . . .
 H1 H 0.326342 0.486355 0.476197 0.023 Uiso 1 1 calc R . . . .
 C1 C 0.20695(13) 0.50862(17) 0.23027(11) 0.0165(4) Uani 1 1 d . . . . .
 C2 C 0.24904(13) 0.49162(17) 0.31891(11) 0.0167(4) Uani 1 1 d . . . . .
 H2 H 0.242327 0.407207 0.345863 0.020 Uiso 1 1 calc R . . . .
 C3 C 0.30087(13) 0.59537(17) 0.36924(11) 0.0162(4) Uani 1 1 d . . . . .
 C4 C 0.30978(14) 0.71961(17) 0.33023(12) 0.0200(4) Uani 1 1 d . . . . .
 H4 H 0.344304 0.791517 0.363662 0.024 Uiso 1 1 calc R . . . .
 C19 C 0.66311(13) 0.66482(18) 1.00236(12) 0.0194(4) Uani 1 1 d . . . . .
 C16 C 0.52268(13) 0.58120(18) 0.76516(11) 0.0191(4) Uani 1 1 d . . . . .
 H16A H 0.458462 0.551203 0.781365 0.023 Uiso 1 1 calc R . . . .
 H16B H 0.562692 0.500022 0.757457 0.023 Uiso 1 1 calc R . . . .
 C13 C 0.40062(13) 0.64457(17) 0.52025(11) 0.0188(4) Uani 1 1 d . . . . .
 C17 C 0.58184(14) 0.66532(17) 0.83989(11) 0.0198(4) Uani 1 1 d . . . . .
 H17A H 0.644970 0.698175 0.823022 0.024 Uiso 1 1 calc R . . . .
 H17B H 0.540786 0.744638 0.849426 0.024 Uiso 1 1 calc R . . . .
 C6 C 0.21730(13) 0.63398(17) 0.19179(11) 0.0192(4) Uani 1 1 d . . . . .
 H6 H 0.189714 0.647985 0.131292 0.023 Uiso 1 1 calc R . . . .
 C15 C 0.49825(14) 0.65678(18) 0.67820(11) 0.0200(4) Uani 1 1 d . . . . .
 H15A H 0.461347 0.740560 0.686276 0.024 Uiso 1 1 calc R . . . .
 H15B H 0.562296 0.681928 0.659722 0.024 Uiso 1 1 calc R . . . .
 C5 C 0.26761(14) 0.73737(18) 0.24176(12) 0.0219(4) Uani 1 1 d . . . . .
 H5 H 0.273477 0.822254 0.215113 0.026 Uiso 1 1 calc R . . . .
 C14 C 0.43408(14) 0.57229(18) 0.60671(11) 0.0200(4) Uani 1 1 d . . . . .
 H14A H 0.473416 0.491656 0.596501 0.024 Uiso 1 1 calc R . . . .
 H14B H 0.373033 0.541236 0.627899 0.024 Uiso 1 1 calc R . . . .
 C18 C 0.60883(14) 0.58640(18) 0.92508(11) 0.0214(4) Uani 1 1 d . . . . .
 H18A H 0.545561 0.549683 0.939570 0.026 Uiso 1 1 calc R . . . .
 H18B H 0.651904 0.509218 0.915421 0.026 Uiso 1 1 calc R . . . .
 C7 C 0.03762(14) 0.28324(18) 0.06965(12) 0.0233(4) Uani 1 1 d . . . . .
 C8 C 0.07708(14) 0.18429(18) 0.14704(12) 0.0237(4) Uani 1 1 d . . . . .
 C9 C -0.06762(15) 0.3394(2) 0.07108(13) 0.0298(5) Uani 1 1 d . . . . .
 H9A H -0.069966 0.372114 0.130262 0.045 Uiso 1 1 calc GR . . . .
 H9B H -0.118395 0.268484 0.054790 0.045 Uiso 1 1 calc GR . . . .
 H9C H -0.082155 0.413828 0.029099 0.045 Uiso 1 1 calc GR . . . .
 C12 C 0.16119(15) 0.09095(19) 0.13037(14) 0.0303(5) Uani 1 1 d . . . . .
 H12A H 0.212966 0.143377 0.108604 0.045 Uiso 1 1 calc GR . . . .
 H12B H 0.132713 0.023393 0.086478 0.045 Uiso 1 1 calc GR . . . .
 H12C H 0.192031 0.046000 0.185286 0.045 Uiso 1 1 calc GR . . . .
 C20 C 0.69579(17) 0.5897(2) 1.08714(12) 0.0313(5) Uani 1 1 d . . . . .
 H20A H 0.741403 0.646399 1.128997 0.047 Uiso 1 1 calc GR . . . .
 H20B H 0.731313 0.507323 1.076146 0.047 Uiso 1 1 calc GR . . . .
 H20C H 0.635990 0.566528 1.111594 0.047 Uiso 1 1 calc GR . . . .
 C10 C 0.04334(16) 0.2313(2) -0.02135(13) 0.0324(5) Uani 1 1 d . . . . .
 H10A H 0.019779 0.301195 -0.065050 0.049 Uiso 1 1 calc GR . . . .
 H10B H 0.000249 0.151483 -0.034386 0.049 Uiso 1 1 calc GR . . . .
 H10C H 0.113680 0.207572 -0.023320 0.049 Uiso 1 1 calc GR . . . .
 C11 C -0.00527(15) 0.1052(2) 0.17904(14) 0.0316(5) Uani 1 1 d . . . . .
 H11A H 0.025765 0.044983 0.226723 0.047 Uiso 1 1 calc GR . . . .
 H11B H -0.043378 0.052091 0.130426 0.047 Uiso 1 1 calc GR . . . .
 H11C H -0.051391 0.167516 0.200642 0.047 Uiso 1 1 calc GR . . . .
 B1 B 0.14624(15) 0.3917(2) 0.17815(13) 0.0181(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
 O2 C8 1.465(2) . ?
 O2 B1 1.365(2) . ?
 O1 C7 1.468(2) . ?
 O1 B1 1.368(2) . ?
 O4 C19 1.218(2) . ?
 O3 C13 1.221(2) . ?
 N1 H1 0.8800 . ?
 N1 C3 1.410(2) . ?
 N1 C13 1.368(2) . ?
 C1 C2 1.392(2) . ?
 C1 C6 1.401(2) . ?
 C1 B1 1.554(3) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.396(2) . ?
 C3 C4 1.391(2) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.391(3) . ?
 C19 C18 1.496(2) . ?
 C19 C20 1.502(3) . ?
 C16 H16A 0.9900 . ?
 C16 H16B 0.9900 . ?
 C16 C17 1.523(2) . ?
 C16 C15 1.523(2) . ?
 C13 C14 1.511(2) . ?
 C17 H17A 0.9900 . ?
 C17 H17B 0.9900 . ?
 C17 C18 1.519(2) . ?
 C6 H6 0.9500 . ?
 C6 C5 1.383(2) . ?
 C15 H15A 0.9900 . ?
 C15 H15B 0.9900 . ?
 C15 C14 1.519(2) . ?
 C5 H5 0.9500 . ?
 C14 H14A 0.9900 . ?
 C14 H14B 0.9900 . ?
 C18 H18A 0.9900 . ?
 C18 H18B 0.9900 . ?
 C7 C8 1.563(3) . ?
 C7 C9 1.524(3) . ?
 C7 C10 1.519(3) . ?
 C8 C12 1.523(3) . ?
 C8 C11 1.517(3) . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C12 H12A 0.9800 . ?
 C12 H12B 0.9800 . ?
 C12 H12C 0.9800 . ?
 C20 H20A 0.9800 . ?
 C20 H20B 0.9800 . ?
 C20 H20C 0.9800 . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C11 H11A 0.9800 . ?
 C11 H11B 0.9800 . ?
 C11 H11C 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
 B1 O2 C8 107.02(14) . . ?
 B1 O1 C7 106.64(14) . . ?
 C3 N1 H1 115.3 . . ?
 C13 N1 H1 115.3 . . ?
 C13 N1 C3 129.34(15) . . ?
 C2 C1 C6 118.30(16) . . ?
 C2 C1 B1 119.66(15) . . ?
 C6 C1 B1 121.98(15) . . ?
 C1 C2 H2 119.1 . . ?
 C1 C2 C3 121.72(16) . . ?
 C3 C2 H2 119.1 . . ?
 C2 C3 N1 116.83(15) . . ?
 C4 C3 N1 123.88(15) . . ?
 C4 C3 C2 119.28(16) . . ?
 C3 C4 H4 120.4 . . ?
 C5 C4 C3 119.28(16) . . ?
 C5 C4 H4 120.4 . . ?
 O4 C19 C18 121.95(16) . . ?
 O4 C19 C20 120.88(17) . . ?
 C18 C19 C20 117.17(15) . . ?
 H16A C16 H16B 107.8 . . ?
 C17 C16 H16A 108.9 . . ?
 C17 C16 H16B 108.9 . . ?
 C17 C16 C15 113.20(14) . . ?
 C15 C16 H16A 108.9 . . ?
 C15 C16 H16B 108.9 . . ?
 O3 C13 N1 123.71(17) . . ?
 O3 C13 C14 123.52(16) . . ?
 N1 C13 C14 112.77(15) . . ?
 C16 C17 H17A 109.1 . . ?
 C16 C17 H17B 109.1 . . ?
 H17A C17 H17B 107.9 . . ?
 C18 C17 C16 112.30(14) . . ?
 C18 C17 H17A 109.1 . . ?
 C18 C17 H17B 109.1 . . ?
 C1 C6 H6 120.0 . . ?
 C5 C6 C1 120.09(16) . . ?
 C5 C6 H6 120.0 . . ?
 C16 C15 H15A 109.3 . . ?
 C16 C15 H15B 109.3 . . ?
 H15A C15 H15B 108.0 . . ?
 C14 C15 C16 111.57(14) . . ?
 C14 C15 H15A 109.3 . . ?
 C14 C15 H15B 109.3 . . ?
 C4 C5 H5 119.3 . . ?
 C6 C5 C4 121.33(16) . . ?
 C6 C5 H5 119.3 . . ?
 C13 C14 C15 114.43(15) . . ?
 C13 C14 H14A 108.7 . . ?
 C13 C14 H14B 108.7 . . ?
 C15 C14 H14A 108.7 . . ?
 C15 C14 H14B 108.7 . . ?
 H14A C14 H14B 107.6 . . ?
 C19 C18 C17 115.12(15) . . ?
 C19 C18 H18A 108.5 . . ?
 C19 C18 H18B 108.5 . . ?
 C17 C18 H18A 108.5 . . ?
 C17 C18 H18B 108.5 . . ?
 H18A C18 H18B 107.5 . . ?
 O1 C7 C8 102.14(13) . . ?
 O1 C7 C9 106.31(15) . . ?
 O1 C7 C10 108.11(15) . . ?
 C9 C7 C8 113.41(16) . . ?
 C10 C7 C8 115.37(16) . . ?
 C10 C7 C9 110.62(16) . . ?
 O2 C8 C7 102.31(13) . . ?
 O2 C8 C12 106.28(15) . . ?
 O2 C8 C11 108.22(15) . . ?
 C12 C8 C7 113.95(16) . . ?
 C11 C8 C7 114.66(16) . . ?
 C11 C8 C12 110.58(16) . . ?
 C7 C9 H9A 109.5 . . ?
 C7 C9 H9B 109.5 . . ?
 C7 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C8 C12 H12A 109.5 . . ?
 C8 C12 H12B 109.5 . . ?
 C8 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 C19 C20 H20A 109.5 . . ?
 C19 C20 H20B 109.5 . . ?
 C19 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?
 C7 C10 H10A 109.5 . . ?
 C7 C10 H10B 109.5 . . ?
 C7 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 C8 C11 H11A 109.5 . . ?
 C8 C11 H11B 109.5 . . ?
 C8 C11 H11C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 O2 B1 O1 113.85(16) . . ?
 O2 B1 C1 122.64(16) . . ?
 O1 B1 C1 123.49(16) . . ?

_olex2_exptl_crystal_mounting_method  'nylon loop'
_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  1.054
_oxdiff_exptl_absorpt_empirical_full_min  0.928
