data_20230525d_auto
_audit_creation_date               2024-03-25
_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
;
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H.
 (2015). Acta Cryst. A71, 59-75.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C27 H18 N3'
_chemical_formula_sum              'C27 H18 N3'
_chemical_formula_weight           384.44
_chemical_absolute_configuration   ?
_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'

_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                     12.5350(4)
_cell_length_b                     5.2858(2)
_cell_length_c                     14.2151(5)
_cell_angle_alpha                  90
_cell_angle_beta                   96.963(3)
_cell_angle_gamma                  90
_cell_volume                       934.91(6)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      3140
_cell_measurement_temperature      100(2)
_cell_measurement_theta_max        75.5280
_cell_measurement_theta_min        4.4290
_shelx_estimated_absorpt_T_max     0.939
_shelx_estimated_absorpt_T_min     0.939
_exptl_absorpt_coefficient_mu      0.633
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.79528
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     ?
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light brown'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      brown
_exptl_crystal_density_diffrn      1.366
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         needle
_exptl_crystal_F_000               402
_exptl_crystal_size_max            0.5
_exptl_crystal_size_mid            0.3
_exptl_crystal_size_min            0.15
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1154
_diffrn_reflns_av_unetI/netI       0.1054
_diffrn_reflns_Laue_measured_fraction_full  0.987
_diffrn_reflns_Laue_measured_fraction_max  0.949
_diffrn_reflns_limit_h_max         15
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         6
_diffrn_reflns_limit_k_min         -5
_diffrn_reflns_limit_l_max         17
_diffrn_reflns_limit_l_min         -12
_diffrn_reflns_number              6104
_diffrn_reflns_point_group_measured_fraction_full  0.794
_diffrn_reflns_point_group_measured_fraction_max  0.746
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           76.384
_diffrn_reflns_theta_min           3.552
_diffrn_ambient_temperature        100.15
_diffrn_detector_area_resol_mean   10.0000
_diffrn_measured_fraction_theta_full  0.987
_diffrn_measured_fraction_theta_max  0.949
_diffrn_measurement_device_type    'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'Rotating-anode X-ray tube'
_reflns_Friedel_coverage           0.413
_reflns_Friedel_fraction_full      0.550
_reflns_Friedel_fraction_max       0.492
_reflns_number_gt                  2319
_reflns_number_total               2923
_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 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_collection         'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction          'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution      'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max           0.210
_refine_diff_density_min           -0.268
_refine_diff_density_rms           0.057
_refine_ls_abs_structure_details
;
 Flack x determined using 589 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.1(9)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.100
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       271
_refine_ls_number_reflns           2923
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0834
_refine_ls_R_factor_gt             0.0546
_refine_ls_restrained_S_all        1.100
_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)+(0.0626P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1386
_refine_ls_wR_factor_ref           0.1495
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C11(H11), C10(H10), C9(H9), C3(H3), C4(H4), C5(H5), C6(H6),
 C27(H27), C26(H26), C25(H25), C24(H24), C23(H23), C16(H16), C17(H17), C18(H18),
  C19(H19), C20(H20)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_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
 C8 C -0.9512(3) -0.2814(9) -0.7883(3) 0.0207(9) Uani 1 1 d . . . . .
 C7 C -0.9777(3) -0.4691(9) -0.7189(3) 0.0199(9) Uani 1 1 d . . . . .
 C2 C -0.8975(3) -0.6412(9) -0.6780(3) 0.0209(9) Uani 1 1 d . . . . .
 C1 C -0.7906(3) -0.6200(9) -0.7046(3) 0.0196(9) Uani 1 1 d . . . . .
 C21 C -0.6087(3) -0.6698(9) -0.7855(3) 0.0191(9) Uani 1 1 d . . . . .
 C14 C -0.7683(3) -0.4636(8) -0.7799(3) 0.0197(9) Uani 1 1 d . . . . .
 C13 C -0.8480(3) -0.2819(9) -0.8186(3) 0.0184(9) Uani 1 1 d . . . . .
 C12 C -0.8210(3) -0.1023(9) -0.8849(3) 0.0217(9) Uani 1 1 d . . . . .
 H12 H -0.7511 -0.1034 -0.9044 0.026 Uiso 1 1 calc R . . . .
 C11 C -0.8950(4) 0.0750(9) -0.9217(3) 0.0251(10) Uani 1 1 d . . . . .
 H11 H -0.8761 0.1970 -0.9659 0.030 Uiso 1 1 calc R . . . .
 C10 C -0.9981(4) 0.0745(9) -0.8936(3) 0.0256(10) Uani 1 1 d . . . . .
 H10 H -1.0499 0.1941 -0.9200 0.031 Uiso 1 1 calc R . . . .
 C9 C -1.0252(3) -0.0985(9) -0.8278(3) 0.0224(9) Uani 1 1 d . . . . .
 H9 H -1.0952 -0.0942 -0.8087 0.027 Uiso 1 1 calc R . . . .
 C3 C -0.9267(3) -0.8336(9) -0.6177(3) 0.0221(9) Uani 1 1 d . . . . .
 H3 H -0.8744 -0.9545 -0.5932 0.027 Uiso 1 1 calc R . . . .
 C4 C -1.0299(3) -0.8500(9) -0.5933(3) 0.0237(10) Uani 1 1 d . . . . .
 H4 H -1.0481 -0.9798 -0.5519 0.028 Uiso 1 1 calc R . . . .
 C5 C -1.1075(3) -0.6744(10) -0.6300(3) 0.0274(10) Uani 1 1 d . . . . .
 H5 H -1.1779 -0.6812 -0.6119 0.033 Uiso 1 1 calc R . . . .
 C6 C -1.0817(4) -0.4918(9) -0.6925(3) 0.0244(10) Uani 1 1 d . . . . .
 H6 H -1.1359 -0.3776 -0.7186 0.029 Uiso 1 1 calc R . . . .
 C22 C -0.5112(3) -0.7150(9) -0.8330(3) 0.0199(9) Uani 1 1 d . . . . .
 C27 C -0.4803(3) -0.5428(10) -0.8984(3) 0.0249(10) Uani 1 1 d . . . . .
 H27 H -0.5249 -0.4016 -0.9170 0.030 Uiso 1 1 calc R . . . .
 C26 C -0.3846(4) -0.5761(10) -0.9369(3) 0.0279(11) Uani 1 1 d . . . . .
 H26 H -0.3631 -0.4558 -0.9805 0.034 Uiso 1 1 calc R . . . .
 C25 C -0.3202(3) -0.7851(11) -0.9116(3) 0.0289(11) Uani 1 1 d . . . . .
 H25 H -0.2548 -0.8086 -0.9380 0.035 Uiso 1 1 calc R . . . .
 C24 C -0.3520(4) -0.9579(11) -0.8480(3) 0.0290(11) Uani 1 1 d . . . . .
 H24 H -0.3082 -1.1013 -0.8308 0.035 Uiso 1 1 calc R . . . .
 C23 C -0.4464(3) -0.9252(9) -0.8092(3) 0.0249(10) Uani 1 1 d . . . . .
 H23 H -0.4675 -1.0467 -0.7658 0.030 Uiso 1 1 calc R . . . .
 C15 C -0.6834(3) -0.8190(9) -0.5642(3) 0.0180(9) Uani 1 1 d . . . . .
 C16 C -0.7180(3) -0.6518(9) -0.4986(3) 0.0211(9) Uani 1 1 d . . . . .
 H16 H -0.7589 -0.5068 -0.5195 0.025 Uiso 1 1 calc R . . . .
 C17 C -0.6921(3) -0.6983(9) -0.4022(3) 0.0215(9) Uani 1 1 d . . . . .
 H17 H -0.7163 -0.5858 -0.3572 0.026 Uiso 1 1 calc R . . . .
 C18 C -0.6313(3) -0.9082(9) -0.3715(3) 0.0219(10) Uani 1 1 d . . . . .
 H18 H -0.6131 -0.9384 -0.3056 0.026 Uiso 1 1 calc R . . . .
 C19 C -0.5970(3) -1.0740(9) -0.4374(3) 0.0227(9) Uani 1 1 d . . . . .
 H19 H -0.5554 -1.2178 -0.4162 0.027 Uiso 1 1 calc R . . . .
 C20 C -0.6227(3) -1.0326(9) -0.5341(3) 0.0225(9) Uani 1 1 d . . . . .
 H20 H -0.5995 -1.1472 -0.5789 0.027 Uiso 1 1 calc R . . . .
 N1 N -0.7045(3) -0.7652(7) -0.6633(2) 0.0196(8) Uani 1 1 d . . . . .
 N2 N -0.6171(3) -0.8125(8) -0.7104(2) 0.0224(8) Uani 1 1 d . . . . .
 N3 N -0.6742(3) -0.4793(7) -0.8185(2) 0.0213(8) 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
 C8 C7 1.464(6) . ?
 C8 C13 1.414(6) . ?
 C8 C9 1.408(6) . ?
 C7 C2 1.426(6) . ?
 C7 C6 1.406(6) . ?
 C2 C1 1.440(6) . ?
 C2 C3 1.407(6) . ?
 C1 C14 1.408(6) . ?
 C1 N1 1.394(5) . ?
 C21 C22 1.486(6) . ?
 C21 N2 1.322(6) . ?
 C21 N3 1.347(6) . ?
 C14 C13 1.445(6) . ?
 C14 N3 1.363(5) . ?
 C13 C12 1.407(6) . ?
 C12 H12 0.9500 . ?
 C12 C11 1.376(6) . ?
 C11 H11 0.9500 . ?
 C11 C10 1.399(7) . ?
 C10 H10 0.9500 . ?
 C10 C9 1.379(7) . ?
 C9 H9 0.9500 . ?
 C3 H3 0.9500 . ?
 C3 C4 1.383(6) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.398(6) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.376(7) . ?
 C6 H6 0.9500 . ?
 C22 C27 1.389(6) . ?
 C22 C23 1.394(6) . ?
 C27 H27 0.9500 . ?
 C27 C26 1.389(6) . ?
 C26 H26 0.9500 . ?
 C26 C25 1.389(7) . ?
 C25 H25 0.9500 . ?
 C25 C24 1.378(7) . ?
 C24 H24 0.9500 . ?
 C24 C23 1.376(6) . ?
 C23 H23 0.9500 . ?
 C15 C16 1.391(6) . ?
 C15 C20 1.399(6) . ?
 C15 N1 1.430(5) . ?
 C16 H16 0.9500 . ?
 C16 C17 1.392(6) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.386(6) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.389(7) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.390(6) . ?
 C20 H20 0.9500 . ?
 N1 N2 1.375(5) . ?

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
 C13 C8 C7 119.6(4) . . ?
 C9 C8 C7 122.8(4) . . ?
 C9 C8 C13 117.5(4) . . ?
 C2 C7 C8 120.1(3) . . ?
 C6 C7 C8 122.0(4) . . ?
 C6 C7 C2 117.9(4) . . ?
 C7 C2 C1 118.4(4) . . ?
 C3 C2 C7 119.2(3) . . ?
 C3 C2 C1 122.3(4) . . ?
 C14 C1 C2 121.5(4) . . ?
 N1 C1 C2 123.0(4) . . ?
 N1 C1 C14 115.4(3) . . ?
 N2 C21 C22 115.2(4) . . ?
 N2 C21 N3 127.1(4) . . ?
 N3 C21 C22 117.5(4) . . ?
 C1 C14 C13 119.2(3) . . ?
 N3 C14 C1 122.2(4) . . ?
 N3 C14 C13 118.6(4) . . ?
 C8 C13 C14 120.1(4) . . ?
 C12 C13 C8 120.4(4) . . ?
 C12 C13 C14 119.5(4) . . ?
 C13 C12 H12 119.7 . . ?
 C11 C12 C13 120.5(4) . . ?
 C11 C12 H12 119.7 . . ?
 C12 C11 H11 120.2 . . ?
 C12 C11 C10 119.6(4) . . ?
 C10 C11 H11 120.2 . . ?
 C11 C10 H10 119.8 . . ?
 C9 C10 C11 120.4(4) . . ?
 C9 C10 H10 119.8 . . ?
 C8 C9 H9 119.3 . . ?
 C10 C9 C8 121.4(4) . . ?
 C10 C9 H9 119.3 . . ?
 C2 C3 H3 119.4 . . ?
 C4 C3 C2 121.2(4) . . ?
 C4 C3 H3 119.4 . . ?
 C3 C4 H4 120.2 . . ?
 C3 C4 C5 119.7(4) . . ?
 C5 C4 H4 120.2 . . ?
 C4 C5 H5 120.0 . . ?
 C6 C5 C4 120.0(4) . . ?
 C6 C5 H5 120.0 . . ?
 C7 C6 H6 119.0 . . ?
 C5 C6 C7 122.0(4) . . ?
 C5 C6 H6 119.0 . . ?
 C27 C22 C21 120.7(4) . . ?
 C27 C22 C23 118.9(4) . . ?
 C23 C22 C21 120.3(4) . . ?
 C22 C27 H27 119.9 . . ?
 C26 C27 C22 120.3(4) . . ?
 C26 C27 H27 119.9 . . ?
 C27 C26 H26 119.9 . . ?
 C27 C26 C25 120.1(4) . . ?
 C25 C26 H26 119.9 . . ?
 C26 C25 H25 120.3 . . ?
 C24 C25 C26 119.4(4) . . ?
 C24 C25 H25 120.3 . . ?
 C25 C24 H24 119.6 . . ?
 C23 C24 C25 120.8(5) . . ?
 C23 C24 H24 119.6 . . ?
 C22 C23 H23 119.8 . . ?
 C24 C23 C22 120.4(4) . . ?
 C24 C23 H23 119.8 . . ?
 C16 C15 C20 120.6(4) . . ?
 C16 C15 N1 119.9(4) . . ?
 C20 C15 N1 119.4(4) . . ?
 C15 C16 H16 120.2 . . ?
 C15 C16 C17 119.6(4) . . ?
 C17 C16 H16 120.2 . . ?
 C16 C17 H17 119.8 . . ?
 C18 C17 C16 120.3(4) . . ?
 C18 C17 H17 119.8 . . ?
 C17 C18 H18 120.1 . . ?
 C17 C18 C19 119.8(4) . . ?
 C19 C18 H18 120.1 . . ?
 C18 C19 H19 119.5 . . ?
 C18 C19 C20 120.9(4) . . ?
 C20 C19 H19 119.5 . . ?
 C15 C20 H20 120.6 . . ?
 C19 C20 C15 118.8(4) . . ?
 C19 C20 H20 120.6 . . ?
 C1 N1 C15 124.4(3) . . ?
 N2 N1 C1 121.2(3) . . ?
 N2 N1 C15 112.3(3) . . ?
 C21 N2 N1 115.8(4) . . ?
 C21 N3 C14 115.2(3) . . ?

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
 C8 C7 C2 C1 1.8(6) . . . . ?
 C8 C7 C2 C3 -174.7(4) . . . . ?
 C8 C7 C6 C5 177.5(4) . . . . ?
 C8 C13 C12 C11 -0.6(6) . . . . ?
 C7 C8 C13 C14 -1.3(6) . . . . ?
 C7 C8 C13 C12 -179.7(4) . . . . ?
 C7 C8 C9 C10 -179.4(4) . . . . ?
 C7 C2 C1 C14 -10.3(6) . . . . ?
 C7 C2 C1 N1 174.9(4) . . . . ?
 C7 C2 C3 C4 -3.6(6) . . . . ?
 C2 C7 C6 C5 -0.7(7) . . . . ?
 C2 C1 C14 C13 13.0(6) . . . . ?
 C2 C1 C14 N3 -166.3(4) . . . . ?
 C2 C1 N1 C15 -42.0(6) . . . . ?
 C2 C1 N1 N2 155.7(4) . . . . ?
 C2 C3 C4 C5 0.8(7) . . . . ?
 C1 C2 C3 C4 -179.9(4) . . . . ?
 C1 C14 C13 C8 -7.0(6) . . . . ?
 C1 C14 C13 C12 171.5(4) . . . . ?
 C1 C14 N3 C21 5.9(6) . . . . ?
 C1 N1 N2 C21 14.3(6) . . . . ?
 C21 C22 C27 C26 174.9(4) . . . . ?
 C21 C22 C23 C24 -175.3(4) . . . . ?
 C14 C1 N1 C15 142.8(4) . . . . ?
 C14 C1 N1 N2 -19.4(6) . . . . ?
 C14 C13 C12 C11 -179.0(4) . . . . ?
 C13 C8 C7 C2 3.9(6) . . . . ?
 C13 C8 C7 C6 -174.3(4) . . . . ?
 C13 C8 C9 C10 -0.1(6) . . . . ?
 C13 C14 N3 C21 -173.4(4) . . . . ?
 C13 C12 C11 C10 -0.7(7) . . . . ?
 C12 C11 C10 C9 1.5(7) . . . . ?
 C11 C10 C9 C8 -1.1(7) . . . . ?
 C9 C8 C7 C2 -176.9(4) . . . . ?
 C9 C8 C7 C6 5.0(7) . . . . ?
 C9 C8 C13 C14 179.4(4) . . . . ?
 C9 C8 C13 C12 1.0(6) . . . . ?
 C3 C2 C1 C14 166.0(4) . . . . ?
 C3 C2 C1 N1 -8.8(7) . . . . ?
 C3 C4 C5 C6 2.2(7) . . . . ?
 C4 C5 C6 C7 -2.2(7) . . . . ?
 C6 C7 C2 C1 180.0(4) . . . . ?
 C6 C7 C2 C3 3.5(6) . . . . ?
 C22 C21 N2 N1 177.3(4) . . . . ?
 C22 C21 N3 C14 172.9(4) . . . . ?
 C22 C27 C26 C25 1.4(7) . . . . ?
 C27 C22 C23 C24 1.6(6) . . . . ?
 C27 C26 C25 C24 -0.2(7) . . . . ?
 C26 C25 C24 C23 -0.2(7) . . . . ?
 C25 C24 C23 C22 -0.5(7) . . . . ?
 C23 C22 C27 C26 -2.1(6) . . . . ?
 C15 C16 C17 C18 0.8(6) . . . . ?
 C15 N1 N2 C21 -149.9(4) . . . . ?
 C16 C15 C20 C19 -0.3(6) . . . . ?
 C16 C15 N1 C1 -27.0(6) . . . . ?
 C16 C15 N1 N2 136.7(4) . . . . ?
 C16 C17 C18 C19 -0.7(6) . . . . ?
 C17 C18 C19 C20 0.1(6) . . . . ?
 C18 C19 C20 C15 0.4(6) . . . . ?
 C20 C15 C16 C17 -0.2(6) . . . . ?
 C20 C15 N1 C1 156.7(4) . . . . ?
 C20 C15 N1 N2 -39.7(5) . . . . ?
 N1 C1 C14 C13 -171.8(4) . . . . ?
 N1 C1 C14 N3 8.9(6) . . . . ?
 N1 C15 C16 C17 -176.6(4) . . . . ?
 N1 C15 C20 C19 176.0(4) . . . . ?
 N2 C21 C22 C27 -165.4(4) . . . . ?
 N2 C21 C22 C23 11.5(6) . . . . ?
 N2 C21 N3 C14 -12.4(6) . . . . ?
 N3 C21 C22 C27 10.0(6) . . . . ?
 N3 C21 C22 C23 -173.1(4) . . . . ?
 N3 C21 N2 N1 2.5(6) . . . . ?
 N3 C14 C13 C8 172.3(4) . . . . ?
 N3 C14 C13 C12 -9.2(6) . . . . ?


_olex2_submission_special_instructions  'No special instructions were received'
