data_cxy3403_0m
_audit_creation_date               2021-10-22
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6405)
;
_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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C20 H21 N O4'
_chemical_formula_sum              'C20 H21 N O4'
_chemical_formula_weight           339.38
_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                     9.3338(4)
_cell_length_b                     9.2673(4)
_cell_length_c                     9.9618(4)
_cell_angle_alpha                  90
_cell_angle_beta                   99.2090(10)
_cell_angle_gamma                  90
_cell_volume                       850.58(6)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9974
_cell_measurement_temperature      100
_cell_measurement_theta_max        68.30
_cell_measurement_theta_min        4.50
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.753
_exptl_absorpt_correction_T_max    1.0000
_exptl_absorpt_correction_T_min    0.7763
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1511 before and 0.0612 after correction.
The Ratio of minimum to maximum transmission is 0.7763.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.325
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               360
_exptl_crystal_size_max            0.32
_exptl_crystal_size_mid            0.29
_exptl_crystal_size_min            0.26
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0485
_diffrn_reflns_av_unetI/netI       0.0367
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.998
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         11
_diffrn_reflns_limit_k_min         -11
_diffrn_reflns_limit_l_max         12
_diffrn_reflns_limit_l_min         -11
_diffrn_reflns_number              14224
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.996
_diffrn_reflns_theta_full          67.679
_diffrn_reflns_theta_max           68.414
_diffrn_reflns_theta_min           4.496
_diffrn_ambient_temperature        100.00
_diffrn_detector                   'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'CMOS area detector'
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.998
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker CMOS area detector'
_diffrn_measurement_method         'ω and φ scans'
_diffrn_radiation_monochromator    'mirror optics'
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     'microfocus sealed X-ray tube'
_diffrn_source_current             1.11
_diffrn_source_power               0.05550000000000001
_diffrn_source_type                'Incoatec I\ms'
_diffrn_source_voltage             50.0
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.871
_reflns_Friedel_fraction_full      0.996
_reflns_Friedel_fraction_max       0.994
_reflns_number_gt                  3087
_reflns_number_total               3113
_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 V8.40A (Bruker, 2019)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max           0.186
_refine_diff_density_min           -0.142
_refine_diff_density_rms           0.031
_refine_ls_abs_structure_details
;
 Flack x determined using 1424 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.07(6)
_refine_ls_extinction_coef         0.0055(9)
_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     1.055
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       229
_refine_ls_number_reflns           3113
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0261
_refine_ls_R_factor_gt             0.0258
_refine_ls_restrained_S_all        1.055
_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)+(0.0184P)²+0.1810P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0629
_refine_ls_wR_factor_ref           0.0630
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C15(H15), C18(H18)
2.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C8(H8A,H8B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3A), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C19(H19), C20(H20)
2.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
2.e Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_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
 O1 O 0.45773(13) 0.50973(13) 0.16930(12) 0.0183(3) Uani 1 1 d . . . . .
 O2 O 0.39088(16) 0.39346(16) -0.02979(14) 0.0283(3) Uani 1 1 d . . . . .
 O3 O 0.32439(14) 0.30166(14) 0.29201(13) 0.0214(3) Uani 1 1 d . . . . .
 H3 H 0.294370 0.232302 0.334165 0.032 Uiso 1 1 calc R U . . .
 O4 O 0.69018(14) 0.57606(14) 0.53074(13) 0.0216(3) Uani 1 1 d . . . . .
 N1 N 0.50980(16) 0.41546(16) 0.44937(15) 0.0174(3) Uani 1 1 d . . . . .
 C1 C 0.0545(2) 0.6895(2) 0.5249(2) 0.0222(4) Uani 1 1 d . . . . .
 H1 H -0.028413 0.750258 0.517562 0.027 Uiso 1 1 calc R U . . .
 C2 C 0.1470(2) 0.6986(2) 0.43033(19) 0.0232(4) Uani 1 1 d . . . . .
 H2 H 0.127717 0.766092 0.357912 0.028 Uiso 1 1 calc R U . . .
 C3 C 0.2686(2) 0.6094(2) 0.44013(18) 0.0199(4) Uani 1 1 d . . . . .
 H3A H 0.331325 0.615868 0.374086 0.024 Uiso 1 1 calc R U . . .
 C4 C 0.29826(19) 0.5109(2) 0.54642(17) 0.0172(3) Uani 1 1 d . . . . .
 C5 C 0.4317(2) 0.41461(19) 0.56411(18) 0.0190(4) Uani 1 1 d . . . . .
 H5A H 0.498566 0.445883 0.646296 0.023 Uiso 1 1 calc R U . . .
 H5B H 0.401499 0.314401 0.579699 0.023 Uiso 1 1 calc R U . . .
 C6 C 0.63058(18) 0.4930(2) 0.44290(17) 0.0174(4) Uani 1 1 d . . . . .
 C7 C 0.68349(19) 0.45513(19) 0.31040(18) 0.0178(4) Uani 1 1 d . . . . .
 H7 H 0.755432 0.374994 0.330755 0.021 Uiso 1 1 calc R U . . .
 C8 C 0.75889(19) 0.5773(2) 0.24500(18) 0.0190(4) Uani 1 1 d . . . . .
 H8A H 0.686463 0.651112 0.208265 0.023 Uiso 1 1 calc R U . . .
 H8B H 0.831880 0.623765 0.314666 0.023 Uiso 1 1 calc R U . . .
 C9 C 0.83260(19) 0.51909(19) 0.13140(18) 0.0178(4) Uani 1 1 d . . . . .
 C10 C 0.9596(2) 0.43782(19) 0.16248(19) 0.0201(4) Uani 1 1 d . . . . .
 H10 H 1.002174 0.424751 0.254879 0.024 Uiso 1 1 calc R U . . .
 C11 C 1.0246(2) 0.3760(2) 0.0609(2) 0.0214(4) Uani 1 1 d . . . . .
 H11 H 1.110624 0.320560 0.083705 0.026 Uiso 1 1 calc R U . . .
 C12 C 0.9634(2) 0.3954(2) -0.07466(19) 0.0218(4) Uani 1 1 d . . . . .
 H12 H 1.007189 0.352730 -0.144784 0.026 Uiso 1 1 calc R U . . .
 C13 C 0.0831(2) 0.5910(2) 0.6312(2) 0.0250(4) Uani 1 1 d . . . . .
 H13 H 0.019567 0.584013 0.696539 0.030 Uiso 1 1 calc R U . . .
 C14 C 0.2048(2) 0.5030(2) 0.64155(19) 0.0221(4) Uani 1 1 d . . . . .
 H14 H 0.224350 0.436403 0.714694 0.026 Uiso 1 1 calc R U . . .
 C15 C 0.54762(19) 0.39126(19) 0.22524(18) 0.0178(4) Uani 1 1 d . . . . .
 H15 H 0.570698 0.323081 0.153876 0.021 Uiso 1 1 calc R U . . .
 C16 C 0.38260(19) 0.4962(2) 0.04249(18) 0.0192(4) Uani 1 1 d . . . . .
 C17 C 0.2893(2) 0.6267(2) 0.0091(2) 0.0256(4) Uani 1 1 d . . . . .
 H17A H 0.254262 0.629581 -0.088963 0.038 Uiso 1 1 calc R U . . .
 H17B H 0.346250 0.713709 0.036383 0.038 Uiso 1 1 calc R U . . .
 H17C H 0.206369 0.622210 0.058122 0.038 Uiso 1 1 calc R U . . .
 C18 C 0.4728(2) 0.31709(19) 0.33199(17) 0.0182(4) Uani 1 1 d . . . . .
 H18 H 0.517896 0.220422 0.354596 0.022 Uiso 1 1 calc R U . . .
 C19 C 0.7735(2) 0.53873(19) -0.00447(19) 0.0197(4) Uani 1 1 d . . . . .
 H19 H 0.687855 0.594758 -0.027520 0.024 Uiso 1 1 calc R U . . .
 C20 C 0.8383(2) 0.4774(2) -0.10698(19) 0.0227(4) Uani 1 1 d . . . . .
 H20 H 0.796743 0.491525 -0.199494 0.027 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 C15 1.439(2) . ?
 O1 C16 1.349(2) . ?
 O2 C16 1.203(2) . ?
 O3 H3 0.8400 . ?
 O3 C18 1.386(2) . ?
 O4 C6 1.230(2) . ?
 N1 C5 1.451(2) . ?
 N1 C6 1.347(2) . ?
 N1 C18 1.479(2) . ?
 C1 H1 0.9500 . ?
 C1 C2 1.379(3) . ?
 C1 C13 1.391(3) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.395(3) . ?
 C3 H3A 0.9500 . ?
 C3 C4 1.392(3) . ?
 C4 C5 1.520(3) . ?
 C4 C14 1.389(3) . ?
 C5 H5A 0.9900 . ?
 C5 H5B 0.9900 . ?
 C6 C7 1.522(2) . ?
 C7 H7 1.0000 . ?
 C7 C8 1.532(2) . ?
 C7 C15 1.528(2) . ?
 C8 H8A 0.9900 . ?
 C8 H8B 0.9900 . ?
 C8 C9 1.515(2) . ?
 C9 C10 1.397(3) . ?
 C9 C19 1.389(3) . ?
 C10 H10 0.9500 . ?
 C10 C11 1.384(3) . ?
 C11 H11 0.9500 . ?
 C11 C12 1.391(3) . ?
 C12 H12 0.9500 . ?
 C12 C20 1.387(3) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.389(3) . ?
 C14 H14 0.9500 . ?
 C15 H15 1.0000 . ?
 C15 C18 1.526(2) . ?
 C16 C17 1.496(3) . ?
 C17 H17A 0.9800 . ?
 C17 H17B 0.9800 . ?
 C17 H17C 0.9800 . ?
 C18 H18 1.0000 . ?
 C19 H19 0.9500 . ?
 C19 C20 1.389(3) . ?
 C20 H20 0.9500 . ?

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
 C16 O1 C15 118.37(14) . . ?
 C18 O3 H3 109.5 . . ?
 C5 N1 C18 122.43(14) . . ?
 C6 N1 C5 124.79(15) . . ?
 C6 N1 C18 112.46(14) . . ?
 C2 C1 H1 120.2 . . ?
 C2 C1 C13 119.70(18) . . ?
 C13 C1 H1 120.2 . . ?
 C1 C2 H2 119.7 . . ?
 C1 C2 C3 120.50(18) . . ?
 C3 C2 H2 119.7 . . ?
 C2 C3 H3A 119.9 . . ?
 C4 C3 C2 120.16(17) . . ?
 C4 C3 H3A 119.9 . . ?
 C3 C4 C5 122.21(16) . . ?
 C14 C4 C3 118.92(17) . . ?
 C14 C4 C5 118.85(16) . . ?
 N1 C5 C4 114.29(14) . . ?
 N1 C5 H5A 108.7 . . ?
 N1 C5 H5B 108.7 . . ?
 C4 C5 H5A 108.7 . . ?
 C4 C5 H5B 108.7 . . ?
 H5A C5 H5B 107.6 . . ?
 O4 C6 N1 125.92(16) . . ?
 O4 C6 C7 126.05(16) . . ?
 N1 C6 C7 107.99(15) . . ?
 C6 C7 H7 107.2 . . ?
 C6 C7 C8 115.68(15) . . ?
 C6 C7 C15 102.42(14) . . ?
 C8 C7 H7 107.2 . . ?
 C15 C7 H7 107.2 . . ?
 C15 C7 C8 116.56(15) . . ?
 C7 C8 H8A 109.6 . . ?
 C7 C8 H8B 109.6 . . ?
 H8A C8 H8B 108.1 . . ?
 C9 C8 C7 110.44(15) . . ?
 C9 C8 H8A 109.6 . . ?
 C9 C8 H8B 109.6 . . ?
 C10 C9 C8 119.82(16) . . ?
 C19 C9 C8 121.62(16) . . ?
 C19 C9 C10 118.50(16) . . ?
 C9 C10 H10 119.5 . . ?
 C11 C10 C9 121.10(17) . . ?
 C11 C10 H10 119.5 . . ?
 C10 C11 H11 120.1 . . ?
 C10 C11 C12 119.79(17) . . ?
 C12 C11 H11 120.1 . . ?
 C11 C12 H12 120.2 . . ?
 C20 C12 C11 119.69(17) . . ?
 C20 C12 H12 120.2 . . ?
 C1 C13 H13 120.1 . . ?
 C14 C13 C1 119.80(18) . . ?
 C14 C13 H13 120.1 . . ?
 C4 C14 H14 119.5 . . ?
 C13 C14 C4 120.92(17) . . ?
 C13 C14 H14 119.5 . . ?
 O1 C15 C7 107.47(14) . . ?
 O1 C15 H15 112.7 . . ?
 O1 C15 C18 108.06(14) . . ?
 C7 C15 H15 112.7 . . ?
 C18 C15 C7 102.67(14) . . ?
 C18 C15 H15 112.7 . . ?
 O1 C16 C17 109.24(16) . . ?
 O2 C16 O1 124.08(17) . . ?
 O2 C16 C17 126.67(17) . . ?
 C16 C17 H17A 109.5 . . ?
 C16 C17 H17B 109.5 . . ?
 C16 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?
 O3 C18 N1 112.75(14) . . ?
 O3 C18 C15 113.20(14) . . ?
 O3 C18 H18 109.7 . . ?
 N1 C18 C15 101.44(14) . . ?
 N1 C18 H18 109.7 . . ?
 C15 C18 H18 109.7 . . ?
 C9 C19 H19 119.6 . . ?
 C20 C19 C9 120.72(17) . . ?
 C20 C19 H19 119.6 . . ?
 C12 C20 C19 120.20(17) . . ?
 C12 C20 H20 119.9 . . ?
 C19 C20 H20 119.9 . . ?

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 C15 C18 O3 42.06(19) . . . . ?
 O1 C15 C18 N1 -79.00(15) . . . . ?
 O4 C6 C7 C8 -34.4(3) . . . . ?
 O4 C6 C7 C15 -162.24(17) . . . . ?
 N1 C6 C7 C8 147.80(15) . . . . ?
 N1 C6 C7 C15 19.94(18) . . . . ?
 C1 C2 C3 C4 -0.5(3) . . . . ?
 C1 C13 C14 C4 -0.5(3) . . . . ?
 C2 C1 C13 C14 0.2(3) . . . . ?
 C2 C3 C4 C5 -178.10(17) . . . . ?
 C2 C3 C4 C14 0.2(3) . . . . ?
 C3 C4 C5 N1 -10.5(2) . . . . ?
 C3 C4 C14 C13 0.3(3) . . . . ?
 C5 N1 C6 O4 -1.8(3) . . . . ?
 C5 N1 C6 C7 176.07(15) . . . . ?
 C5 N1 C18 O3 41.1(2) . . . . ?
 C5 N1 C18 C15 162.47(15) . . . . ?
 C5 C4 C14 C13 178.64(17) . . . . ?
 C6 N1 C5 C4 99.49(19) . . . . ?
 C6 N1 C18 O3 -145.12(15) . . . . ?
 C6 N1 C18 C15 -23.74(18) . . . . ?
 C6 C7 C8 C9 168.54(15) . . . . ?
 C6 C7 C15 O1 80.46(16) . . . . ?
 C6 C7 C15 C18 -33.37(16) . . . . ?
 C7 C8 C9 C10 -73.2(2) . . . . ?
 C7 C8 C9 C19 103.79(19) . . . . ?
 C7 C15 C18 O3 155.45(14) . . . . ?
 C7 C15 C18 N1 34.38(16) . . . . ?
 C8 C7 C15 O1 -46.86(19) . . . . ?
 C8 C7 C15 C18 -160.68(15) . . . . ?
 C8 C9 C10 C11 176.10(16) . . . . ?
 C8 C9 C19 C20 -176.21(17) . . . . ?
 C9 C10 C11 C12 0.4(3) . . . . ?
 C9 C19 C20 C12 -0.1(3) . . . . ?
 C10 C9 C19 C20 0.8(3) . . . . ?
 C10 C11 C12 C20 0.4(3) . . . . ?
 C11 C12 C20 C19 -0.6(3) . . . . ?
 C13 C1 C2 C3 0.3(3) . . . . ?
 C14 C4 C5 N1 171.23(15) . . . . ?
 C15 O1 C16 O2 -3.5(3) . . . . ?
 C15 O1 C16 C17 176.05(15) . . . . ?
 C15 C7 C8 C9 -70.99(19) . . . . ?
 C16 O1 C15 C7 143.46(15) . . . . ?
 C16 O1 C15 C18 -106.39(17) . . . . ?
 C18 N1 C5 C4 -87.50(19) . . . . ?
 C18 N1 C6 O4 -175.37(17) . . . . ?
 C18 N1 C6 C7 2.45(19) . . . . ?
 C19 C9 C10 C11 -1.0(3) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
