data_chuyp_1011
_audit_creation_date               2020-10-14
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_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. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C20 H17 N O4'
_chemical_formula_sum              'C20 H17 N O4'
_chemical_formula_weight           335.35
_chemical_absolute_configuration   ad
_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'
 '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                     10.2921(7)
_cell_length_b                     5.9894(4)
_cell_length_c                     13.4049(8)
_cell_angle_alpha                  90
_cell_angle_beta                   97.129(6)
_cell_angle_gamma                  90
_cell_volume                       819.94(9)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      3819
_cell_measurement_temperature      292.97(10)
_cell_measurement_theta_max        69.8580
_cell_measurement_theta_min        9.6480
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.780
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.17637
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_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      1.358
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         needle
_exptl_crystal_F_000               352
_exptl_crystal_size_max            0.16
_exptl_crystal_size_mid            0.05
_exptl_crystal_size_min            0.03
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0352
_diffrn_reflns_av_unetI/netI       0.0350
_diffrn_reflns_Laue_measured_fraction_full  0.999
_diffrn_reflns_Laue_measured_fraction_max  0.999
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -12
_diffrn_reflns_limit_k_max         7
_diffrn_reflns_limit_k_min         -7
_diffrn_reflns_limit_l_max         11
_diffrn_reflns_limit_l_min         -15
_diffrn_reflns_number              6045
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.997
_diffrn_reflns_theta_full          66.581
_diffrn_reflns_theta_max           66.581
_diffrn_reflns_theta_min           4.329
_diffrn_ambient_environment        air
_diffrn_ambient_temperature        292.97(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   16.0733
_diffrn_detector_type              Eos
_diffrn_measured_fraction_theta_full  0.999
_diffrn_measured_fraction_theta_max  0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    101.00 153.00   2.00    2.00    --  108.00 111.00   0.00   26
  2  ω    110.00 172.00   2.00    2.00    --  108.00 109.00 108.00   31
  3  ω     79.00 131.00   2.00    2.00    --  108.00 -38.00 -60.00   26
  4  ω     98.00 128.00   2.00    2.00    --  108.00 -25.00-120.00   15
  5  ω    100.00 138.00   2.00    2.00    --  108.00 -77.00-180.00   19
  6  ω     76.00 114.00   2.00    2.00    --  108.00-111.00-180.00   19
  7  ω     43.00  79.00   2.00    2.00    --  108.00 -77.00-180.00   18
  8  ω     38.00  84.00   2.00    2.00    --  108.00 -25.00-120.00   23
  9  ω     82.00 158.00   2.00    2.00    --  108.00  25.00-150.00   38
 10  ω    105.00 171.00   2.00    2.00    --  108.00  63.00-120.00   33
 11  ω     79.00 111.00   2.00    2.00    --   54.00  57.00-150.00   16
 12  ω     56.00 130.00   2.00    2.00    --  108.00 -63.00 -30.00   37
 13  ω     78.00 104.00   2.00    2.00    --  108.00-111.00  90.00   13
 14  ω     95.00 135.00   2.00    2.00    --  108.00 -77.00 150.00   20
 15  ω     68.00 116.00   2.00    2.00    --  108.00-111.00 -30.00   24
 16  ω     37.00 141.00   2.00    2.00    --  108.00 -25.00  60.00   52
 17  ω     45.00  77.00   2.00    2.00    --  108.00-111.00 150.00   16
 18  ω     38.00  68.00   2.00    2.00    --  108.00 -77.00 150.00   15
 19  ω     24.00  72.00   2.00    2.00    --   54.00-125.00  60.00   24
 20  ω     -6.00  20.00   2.00    2.00    --    0.00 -77.00  60.00   13
 21  ω     41.00 123.00   2.00    2.00    --   54.00  57.00  30.00   41
 22  ω     -7.00 125.00   2.00    2.00    --   54.00   0.00-150.00   66
 23  ω     29.00 101.00   2.00    2.00    --   54.00-125.00-180.00   36
 24  ω    -10.00  20.00   2.00    2.00    --    0.00 -57.00 -90.00   15
 25  ω    -11.00  71.00   2.00    2.00    --   54.00 -38.00  30.00   41
 26  ω    -69.00 -31.00   2.00    2.00    --    0.00 -77.00  60.00   19
 27  ω    -67.00 -19.00   2.00    2.00    --    0.00 -57.00 -90.00   24
 28  ω     90.00 116.00   2.00    2.00    --  108.00-111.00 120.00   13
 29  ω    -44.00  72.00   2.00    2.00    --    0.00  19.00-150.00   58
 30  ω    -72.00  26.00   2.00    2.00    --    0.00 -38.00-180.00   49
 31  ω     24.00 124.00   2.00    2.00    --   54.00  77.00 120.00   50
 32  ω    -15.00  75.00   2.00    2.00    --   54.00 -57.00-180.00   45
 33  ω     24.00 124.00   2.00    2.00    --   54.00  77.00-120.00   50
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.1282935000
_diffrn_orient_matrix_UB_12        0.1245722000
_diffrn_orient_matrix_UB_13        0.0114379000
_diffrn_orient_matrix_UB_21        0.0601244000
_diffrn_orient_matrix_UB_22        0.2180537000
_diffrn_orient_matrix_UB_23        -0.0342826000
_diffrn_orient_matrix_UB_31        -0.0517180000
_diffrn_orient_matrix_UB_32        -0.0551112000
_diffrn_orient_matrix_UB_33        -0.1101049000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Cu K\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           0.805
_reflns_Friedel_fraction_full      0.993
_reflns_Friedel_fraction_max       0.993
_reflns_number_gt                  2756
_reflns_number_total               2896
_reflns_odcompleteness_completeness  99.94
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       66.97
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection         'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction          'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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      'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max           0.495
_refine_diff_density_min           -0.236
_refine_diff_density_rms           0.056
_refine_ls_abs_structure_details
;
 Flack x determined using 1138 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     -0.04(16)
_refine_ls_extinction_coef         0.089(7)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref     1.035
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       228
_refine_ls_number_reflns           2896
_refine_ls_number_restraints       19
_refine_ls_R_factor_all            0.0505
_refine_ls_R_factor_gt             0.0486
_refine_ls_restrained_S_all        1.035
_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)+(0.0905P)²+0.1005P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1322
_refine_ls_wR_factor_ref           0.1352
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C9(H9)
3.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C19(H19A,H19B)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17)
3.d Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       direct
_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 0.1243(2) 0.4663(4) 0.86668(16) 0.0465(6) Uani 1 1 d . . . . .
 O2 O 0.0974(3) 0.2703(6) 0.54114(18) 0.0657(9) Uani 1 1 d . . . . .
 O3 O 0.3113(3) 0.7539(5) 0.94317(19) 0.0609(7) Uani 1 1 d . U . . .
 O4 O 0.3971(4) 0.9773(5) 0.8343(2) 0.0818(11) Uani 1 1 d . . . . .
 N1 N 0.1225(3) 0.3767(5) 0.70416(19) 0.0420(6) Uani 1 1 d . . . . .
 C1 C 0.0410(3) 0.2854(5) 0.8442(2) 0.0423(7) Uani 1 1 d . . . . .
 C2 C -0.0329(4) 0.1824(7) 0.9088(3) 0.0533(9) Uani 1 1 d . . . . .
 H2 H -0.031639 0.228085 0.975252 0.064 Uiso 1 1 calc R U . . .
 C3 C -0.1098(4) 0.0056(7) 0.8692(3) 0.0614(10) Uani 1 1 d . . . . .
 H3 H -0.162935 -0.068180 0.909816 0.074 Uiso 1 1 calc R U . . .
 C4 C -0.1093(4) -0.0639(7) 0.7704(3) 0.0601(10) Uani 1 1 d . . . . .
 H4 H -0.160117 -0.185873 0.746902 0.072 Uiso 1 1 calc R U . . .
 C5 C -0.0342(3) 0.0454(6) 0.7055(3) 0.0511(8) Uani 1 1 d . . . . .
 H5 H -0.034645 0.001163 0.638991 0.061 Uiso 1 1 calc R U . . .
 C6 C 0.0404(3) 0.2217(6) 0.7451(2) 0.0410(7) Uani 1 1 d . . . . .
 C7 C 0.1384(3) 0.4084(7) 0.6033(2) 0.0473(8) Uani 1 1 d . . . . .
 C8 C 0.1992(4) 0.6256(7) 0.5825(2) 0.0520(9) Uani 1 1 d . . . . .
 H8A H 0.130369 0.736760 0.571188 0.062 Uiso 1 1 calc R U . . .
 H8B H 0.238337 0.611540 0.520572 0.062 Uiso 1 1 calc R U . . .
 C9 C 0.3048(3) 0.7131(6) 0.6653(2) 0.0443(8) Uani 1 1 d . . . . .
 H9 H 0.313343 0.873872 0.654274 0.053 Uiso 1 1 calc R U . . .
 C10 C 0.2617(3) 0.6837(5) 0.7689(2) 0.0431(7) Uani 1 1 d . . . . .
 C11 C 0.1752(3) 0.5218(5) 0.7805(2) 0.0397(7) Uani 1 1 d . . . . .
 C12 C 0.4374(3) 0.6094(6) 0.6571(2) 0.0413(7) Uani 1 1 d . . . . .
 C13 C 0.5246(4) 0.7199(7) 0.6035(3) 0.0510(8) Uani 1 1 d . . . . .
 H13 H 0.501795 0.856493 0.573356 0.061 Uiso 1 1 calc R U . . .
 C14 C 0.6471(4) 0.6255(8) 0.5948(3) 0.0646(11) Uani 1 1 d . . . . .
 H14 H 0.705681 0.700171 0.559065 0.077 Uiso 1 1 calc R U . . .
 C15 C 0.6810(4) 0.4258(8) 0.6383(3) 0.0643(11) Uani 1 1 d . . . . .
 H15 H 0.763386 0.365984 0.633409 0.077 Uiso 1 1 calc R U . . .
 C16 C 0.5945(4) 0.3117(8) 0.6894(3) 0.0651(11) Uani 1 1 d . . . . .
 H16 H 0.617156 0.172994 0.717589 0.078 Uiso 1 1 calc R U . . .
 C17 C 0.4726(4) 0.4042(6) 0.6990(3) 0.0508(8) Uani 1 1 d . . . . .
 H17 H 0.414221 0.326993 0.734052 0.061 Uiso 1 1 calc R U . . .
 C18 C 0.3277(4) 0.8227(6) 0.8502(3) 0.0522(8) Uani 1 1 d . . . . .
 C19 C 0.3876(5) 0.8715(7) 1.0280(3) 0.0617(10) Uani 1 1 d . U . . .
 H19A H 0.402699 0.772248 1.085442 0.074 Uiso 1 1 calc R U . . .
 H19B H 0.472007 0.915169 1.009163 0.074 Uiso 1 1 calc R U . . .
 C20 C 0.3161(5) 1.0713(9) 1.0552(4) 0.0722(12) Uani 1 1 d . U . . .
 H20A H 0.303325 1.171011 0.998795 0.108 Uiso 1 1 calc R U . . .
 H20B H 0.365797 1.145339 1.110955 0.108 Uiso 1 1 calc R U . . .
 H20C H 0.232542 1.027622 1.073684 0.108 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 1.391(4) . ?
 O1 C11 1.368(4) . ?
 O2 C7 1.212(5) . ?
 O3 C18 1.343(4) . ?
 O3 C19 1.478(5) . ?
 O4 C18 1.204(5) . ?
 N1 C6 1.412(4) . ?
 N1 C7 1.395(4) . ?
 N1 C11 1.399(4) . ?
 C1 C2 1.369(5) . ?
 C1 C6 1.381(5) . ?
 C2 H2 0.9300 . ?
 C2 C3 1.387(6) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.390(6) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.396(6) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.372(5) . ?
 C7 C8 1.485(6) . ?
 C8 H8A 0.9700 . ?
 C8 H8B 0.9700 . ?
 C8 C9 1.545(5) . ?
 C9 H9 0.9800 . ?
 C9 C10 1.520(4) . ?
 C9 C12 1.515(5) . ?
 C10 C11 1.339(5) . ?
 C10 C18 1.469(5) . ?
 C12 C13 1.386(5) . ?
 C12 C17 1.381(5) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.400(6) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.357(7) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.372(7) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.392(6) . ?
 C17 H17 0.9300 . ?
 C19 H19A 0.9700 . ?
 C19 H19B 0.9700 . ?
 C19 C20 1.475(7) . ?
 C20 H20A 0.9600 . ?
 C20 H20B 0.9600 . ?
 C20 H20C 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
 C11 O1 C1 107.2(2) . . ?
 C18 O3 C19 116.8(3) . . ?
 C7 N1 C6 127.9(3) . . ?
 C7 N1 C11 122.9(3) . . ?
 C11 N1 C6 108.7(2) . . ?
 C2 C1 O1 126.1(3) . . ?
 C2 C1 C6 123.2(3) . . ?
 C6 C1 O1 110.7(3) . . ?
 C1 C2 H2 122.1 . . ?
 C1 C2 C3 115.9(3) . . ?
 C3 C2 H2 122.1 . . ?
 C2 C3 H3 119.2 . . ?
 C2 C3 C4 121.6(4) . . ?
 C4 C3 H3 119.2 . . ?
 C3 C4 H4 119.3 . . ?
 C3 C4 C5 121.4(4) . . ?
 C5 C4 H4 119.3 . . ?
 C4 C5 H5 121.7 . . ?
 C6 C5 C4 116.5(3) . . ?
 C6 C5 H5 121.7 . . ?
 C1 C6 N1 105.1(3) . . ?
 C5 C6 N1 133.5(3) . . ?
 C5 C6 C1 121.3(3) . . ?
 O2 C7 N1 120.0(3) . . ?
 O2 C7 C8 126.0(3) . . ?
 N1 C7 C8 113.9(3) . . ?
 C7 C8 H8A 108.3 . . ?
 C7 C8 H8B 108.3 . . ?
 C7 C8 C9 115.9(3) . . ?
 H8A C8 H8B 107.4 . . ?
 C9 C8 H8A 108.3 . . ?
 C9 C8 H8B 108.3 . . ?
 C8 C9 H9 107.1 . . ?
 C10 C9 C8 111.0(3) . . ?
 C10 C9 H9 107.1 . . ?
 C12 C9 C8 111.6(3) . . ?
 C12 C9 H9 107.1 . . ?
 C12 C9 C10 112.7(3) . . ?
 C11 C10 C9 117.6(3) . . ?
 C11 C10 C18 125.3(3) . . ?
 C18 C10 C9 116.9(3) . . ?
 O1 C11 N1 108.2(3) . . ?
 C10 C11 O1 127.2(3) . . ?
 C10 C11 N1 124.6(3) . . ?
 C13 C12 C9 119.3(3) . . ?
 C17 C12 C9 121.9(3) . . ?
 C17 C12 C13 118.8(3) . . ?
 C12 C13 H13 120.0 . . ?
 C12 C13 C14 119.9(4) . . ?
 C14 C13 H13 120.0 . . ?
 C13 C14 H14 119.8 . . ?
 C15 C14 C13 120.4(4) . . ?
 C15 C14 H14 119.8 . . ?
 C14 C15 H15 119.8 . . ?
 C14 C15 C16 120.4(4) . . ?
 C16 C15 H15 119.8 . . ?
 C15 C16 H16 120.1 . . ?
 C15 C16 C17 119.8(4) . . ?
 C17 C16 H16 120.1 . . ?
 C12 C17 C16 120.7(4) . . ?
 C12 C17 H17 119.6 . . ?
 C16 C17 H17 119.6 . . ?
 O3 C18 C10 114.5(3) . . ?
 O4 C18 O3 123.0(4) . . ?
 O4 C18 C10 122.3(3) . . ?
 O3 C19 H19A 109.6 . . ?
 O3 C19 H19B 109.6 . . ?
 H19A C19 H19B 108.2 . . ?
 C20 C19 O3 110.1(4) . . ?
 C20 C19 H19A 109.6 . . ?
 C20 C19 H19B 109.6 . . ?
 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 . . ?

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 C2 C3 179.5(3) . . . . ?
 O1 C1 C6 N1 -2.6(3) . . . . ?
 O1 C1 C6 C5 179.6(3) . . . . ?
 O2 C7 C8 C9 -148.7(3) . . . . ?
 N1 C7 C8 C9 35.5(4) . . . . ?
 C1 O1 C11 N1 0.6(3) . . . . ?
 C1 O1 C11 C10 -178.6(3) . . . . ?
 C1 C2 C3 C4 1.1(6) . . . . ?
 C2 C1 C6 N1 176.6(3) . . . . ?
 C2 C1 C6 C5 -1.2(5) . . . . ?
 C2 C3 C4 C5 -1.9(7) . . . . ?
 C3 C4 C5 C6 1.1(6) . . . . ?
 C4 C5 C6 N1 -176.7(3) . . . . ?
 C4 C5 C6 C1 0.4(5) . . . . ?
 C6 N1 C7 O2 -13.8(5) . . . . ?
 C6 N1 C7 C8 162.3(3) . . . . ?
 C6 N1 C11 O1 -2.2(3) . . . . ?
 C6 N1 C11 C10 177.0(3) . . . . ?
 C6 C1 C2 C3 0.4(5) . . . . ?
 C7 N1 C6 C1 -168.8(3) . . . . ?
 C7 N1 C6 C5 8.6(6) . . . . ?
 C7 N1 C11 O1 170.0(3) . . . . ?
 C7 N1 C11 C10 -10.7(5) . . . . ?
 C7 C8 C9 C10 -43.7(4) . . . . ?
 C7 C8 C9 C12 83.0(3) . . . . ?
 C8 C9 C10 C11 25.4(4) . . . . ?
 C8 C9 C10 C18 -159.9(3) . . . . ?
 C8 C9 C12 C13 93.7(4) . . . . ?
 C8 C9 C12 C17 -84.3(4) . . . . ?
 C9 C10 C11 O1 179.6(3) . . . . ?
 C9 C10 C11 N1 0.5(5) . . . . ?
 C9 C10 C18 O3 -164.1(3) . . . . ?
 C9 C10 C18 O4 11.6(6) . . . . ?
 C9 C12 C13 C14 -179.6(3) . . . . ?
 C9 C12 C17 C16 179.3(4) . . . . ?
 C10 C9 C12 C13 -140.6(3) . . . . ?
 C10 C9 C12 C17 41.4(4) . . . . ?
 C11 O1 C1 C2 -177.9(3) . . . . ?
 C11 O1 C1 C6 1.3(3) . . . . ?
 C11 N1 C6 C1 2.9(3) . . . . ?
 C11 N1 C6 C5 -179.7(4) . . . . ?
 C11 N1 C7 O2 175.5(3) . . . . ?
 C11 N1 C7 C8 -8.4(4) . . . . ?
 C11 C10 C18 O3 10.1(5) . . . . ?
 C11 C10 C18 O4 -174.2(4) . . . . ?
 C12 C9 C10 C11 -100.6(4) . . . . ?
 C12 C9 C10 C18 74.0(4) . . . . ?
 C12 C13 C14 C15 0.3(6) . . . . ?
 C13 C12 C17 C16 1.3(5) . . . . ?
 C13 C14 C15 C16 1.4(6) . . . . ?
 C14 C15 C16 C17 -1.7(6) . . . . ?
 C15 C16 C17 C12 0.4(6) . . . . ?
 C17 C12 C13 C14 -1.6(5) . . . . ?
 C18 O3 C19 C20 86.6(5) . . . . ?
 C18 C10 C11 O1 5.5(6) . . . . ?
 C18 C10 C11 N1 -173.6(3) . . . . ?
 C19 O3 C18 O4 -2.5(6) . . . . ?
 C19 O3 C18 C10 173.2(3) . . . . ?

_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  4.255
_oxdiff_exptl_absorpt_empirical_full_min  0.376
