data_1
_audit_creation_date              2016-09-13
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_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          'C27 H20 N4 O'
_chemical_formula_sum             'C27 H20 N4 O'
_chemical_formula_weight          416.47
_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' 0.0033 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'
 '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                    7.5329(18)
_cell_length_b                    35.293(8)
_cell_length_c                    8.165(2)
_cell_angle_alpha                 90
_cell_angle_beta                  94.999(12)
_cell_angle_gamma                 90
_cell_volume                      2162.5(9)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     9411
_cell_measurement_temperature     296.15
_cell_measurement_theta_max       27.64
_cell_measurement_theta_min       2.56
_shelx_estimated_absorpt_T_max    ?
_shelx_estimated_absorpt_T_min    ?
_exptl_absorpt_coefficient_mu     0.080
_exptl_absorpt_correction_T_max   0.7456
_exptl_absorpt_correction_T_min   0.5667
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1528 before and 0.0615 after correction.
The Ratio of minimum to maximum transmission is 0.7601.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details    ?
_exptl_crystal_colour             colourless
_exptl_crystal_colour_primary     colourless
_exptl_crystal_density_diffrn     1.279
_exptl_crystal_density_meas       .
_exptl_crystal_density_method     ?
_exptl_crystal_description        block
_exptl_crystal_F_000              872
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0597
_diffrn_reflns_av_unetI/netI      0.0430
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max        9
_diffrn_reflns_limit_h_min        -9
_diffrn_reflns_limit_k_max        42
_diffrn_reflns_limit_k_min        -43
_diffrn_reflns_limit_l_max        10
_diffrn_reflns_limit_l_min        -10
_diffrn_reflns_number             18695
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full         25.242
_diffrn_reflns_theta_max          26.372
_diffrn_reflns_theta_min          2.308
_diffrn_ambient_temperature       296.15
_diffrn_detector_area_resol_mean  ?
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type   'Bruker APEX-II CCD'
_diffrn_measurement_method        'φ and ω scans'
_diffrn_radiation_monochromator   'graphite'
_diffrn_radiation_type            MoK\a
_diffrn_radiation_wavelength      0.71073
_diffrn_source                    ?
_diffrn_standards_number          0
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 3275
_reflns_number_total              4302
_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 v8.27A (Bruker, 2012)'
_computing_data_collection        ?
_computing_data_reduction         'SAINT v8.27A (Bruker, 2012)'
_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          0.183
_refine_diff_density_min          -0.230
_refine_diff_density_rms          0.045
_refine_ls_extinction_coef        .
_refine_ls_extinction_method      none
_refine_ls_goodness_of_fit_ref    1.106
_refine_ls_hydrogen_treatment     constr
_refine_ls_matrix_type            full
_refine_ls_number_parameters      289
_refine_ls_number_reflns          4302
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0791
_refine_ls_R_factor_gt            0.0568
_refine_ls_restrained_S_all       1.106
_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)+(0.0461P)²+0.8073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1315
_refine_ls_wR_factor_ref          0.1423
_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:
 C1(H1), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27)
;
_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 1.0709(3) 0.63474(6) 1.7350(2) 0.0893(6) Uani 1 1 d . . . . .
 N1 N 0.8511(2) 0.55944(5) 1.5125(2) 0.0515(4) Uani 1 1 d . . . . .
 N2 N 0.9156(2) 0.54030(5) 1.3906(2) 0.0500(4) Uani 1 1 d . . . . .
 N3 N 1.0763(2) 0.55201(6) 1.3494(2) 0.0641(5) Uani 1 1 d . . . . .
 N4 N 0.2497(2) 0.34231(5) 0.7145(2) 0.0518(4) Uani 1 1 d . . . . .
 C1 C 0.9603(3) 0.61156(7) 1.6920(3) 0.0619(6) Uani 1 1 d . . . . .
 H1 H 0.8580 0.6103 1.7479 0.074 Uiso 1 1 calc R . . . .
 C2 C 0.9780(3) 0.58509(6) 1.5557(2) 0.0517(5) Uani 1 1 d . . . . .
 C3 C 1.1153(3) 0.58032(7) 1.4543(3) 0.0648(6) Uani 1 1 d . . . . .
 H3 H 1.2190 0.5948 1.4589 0.078 Uiso 1 1 calc R . . . .
 C4 C 0.8189(3) 0.51079(6) 1.3016(2) 0.0472(5) Uani 1 1 d . . . . .
 C5 C 0.9011(3) 0.49026(6) 1.1856(3) 0.0514(5) Uani 1 1 d . . . . .
 H5 H 1.0196 0.4949 1.1685 0.062 Uiso 1 1 calc R . . . .
 C6 C 0.8052(3) 0.46269(6) 1.0948(3) 0.0506(5) Uani 1 1 d . . . . .
 H6 H 0.8606 0.4493 1.0155 0.061 Uiso 1 1 calc R . . . .
 C7 C 0.6276(3) 0.45445(6) 1.1190(2) 0.0457(5) Uani 1 1 d . . . . .
 C8 C 0.5494(3) 0.47567(7) 1.2379(3) 0.0587(6) Uani 1 1 d . . . . .
 H8 H 0.4319 0.4707 1.2579 0.070 Uiso 1 1 calc R . . . .
 C9 C 0.6421(3) 0.50399(7) 1.3274(3) 0.0595(6) Uani 1 1 d . . . . .
 H9 H 0.5863 0.5182 1.4038 0.071 Uiso 1 1 calc R . . . .
 C10 C 0.5284(2) 0.42481(6) 1.0194(2) 0.0436(4) Uani 1 1 d . . . . .
 C11 C 0.3426(3) 0.42512(6) 0.9918(2) 0.0485(5) Uani 1 1 d . . . . .
 H11 H 0.2785 0.4439 1.0405 0.058 Uiso 1 1 calc R . . . .
 C12 C 0.2516(3) 0.39820(6) 0.8940(2) 0.0491(5) Uani 1 1 d . . . . .
 H12 H 0.1280 0.3993 0.8779 0.059 Uiso 1 1 calc R . . . .
 C13 C 0.3429(3) 0.36944(6) 0.8192(2) 0.0451(5) Uani 1 1 d . . . . .
 C14 C 0.1005(2) 0.32269(6) 0.7722(2) 0.0444(5) Uani 1 1 d . . . . .
 C15 C 0.1001(3) 0.31236(6) 0.9360(3) 0.0554(5) Uani 1 1 d . . . . .
 H15 H 0.1963 0.3188 1.0099 0.066 Uiso 1 1 calc R . . . .
 C16 C -0.0422(4) 0.29254(7) 0.9906(3) 0.0683(7) Uani 1 1 d . . . . .
 H16 H -0.0419 0.2861 1.1011 0.082 Uiso 1 1 calc R . . . .
 C17 C -0.1837(3) 0.28234(7) 0.8822(3) 0.0687(7) Uani 1 1 d . . . . .
 H17 H -0.2779 0.2685 0.9184 0.082 Uiso 1 1 calc R . . . .
 C18 C -0.1854(3) 0.29270(7) 0.7196(3) 0.0610(6) Uani 1 1 d . . . . .
 H18 H -0.2816 0.2859 0.6463 0.073 Uiso 1 1 calc R . . . .
 C19 C -0.0452(3) 0.31317(6) 0.6635(3) 0.0521(5) Uani 1 1 d . . . . .
 H19 H -0.0487 0.3205 0.5538 0.063 Uiso 1 1 calc R . . . .
 C20 C 0.3274(2) 0.32911(6) 0.5718(2) 0.0461(5) Uani 1 1 d . . . . .
 C21 C 0.3090(3) 0.29150(7) 0.5190(3) 0.0525(5) Uani 1 1 d . . . . .
 H21 H 0.2451 0.2744 0.5776 0.063 Uiso 1 1 calc R . . . .
 C22 C 0.3860(3) 0.27961(8) 0.3795(3) 0.0692(7) Uani 1 1 d . . . . .
 H22 H 0.3725 0.2546 0.3446 0.083 Uiso 1 1 calc R . . . .
 C23 C 0.4824(3) 0.30459(10) 0.2919(3) 0.0795(9) Uani 1 1 d . . . . .
 H23 H 0.5346 0.2964 0.1991 0.095 Uiso 1 1 calc R . . . .
 C24 C 0.5013(3) 0.34190(10) 0.3424(3) 0.0739(8) Uani 1 1 d . . . . .
 H24 H 0.5666 0.3587 0.2837 0.089 Uiso 1 1 calc R . . . .
 C25 C 0.4230(3) 0.35439(7) 0.4807(3) 0.0580(6) Uani 1 1 d . . . . .
 H25 H 0.4341 0.3796 0.5128 0.070 Uiso 1 1 calc R . . . .
 C26 C 0.5274(3) 0.36808(7) 0.8500(3) 0.0557(6) Uani 1 1 d . . . . .
 H26 H 0.5908 0.3487 0.8043 0.067 Uiso 1 1 calc R . . . .
 C27 C 0.6176(3) 0.39508(7) 0.9474(3) 0.0545(5) Uani 1 1 d . . . . .
 H27 H 0.7409 0.3935 0.9659 0.065 Uiso 1 1 calc R . . . .


_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 1.198(3) . ?
 N1 N2 1.330(2) . ?
 N1 C2 1.341(3) . ?
 N2 N3 1.349(2) . ?
 N2 C4 1.432(3) . ?
 N3 C3 1.332(3) . ?
 N4 C13 1.427(3) . ?
 N4 C14 1.434(2) . ?
 N4 C20 1.427(2) . ?
 C1 H1 0.9300 . ?
 C1 C2 1.468(3) . ?
 C2 C3 1.390(3) . ?
 C3 H3 0.9300 . ?
 C4 C5 1.381(3) . ?
 C4 C9 1.387(3) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.387(3) . ?
 C6 H6 0.9300 . ?
 C6 C7 1.400(3) . ?
 C7 C8 1.397(3) . ?
 C7 C10 1.486(3) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.390(3) . ?
 C9 H9 0.9300 . ?
 C10 C11 1.398(3) . ?
 C10 C27 1.402(3) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.384(3) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.396(3) . ?
 C13 C26 1.391(3) . ?
 C14 C15 1.386(3) . ?
 C14 C19 1.391(3) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.386(3) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.373(4) . ?
 C17 H17 0.9300 . ?
 C17 C18 1.376(4) . ?
 C18 H18 0.9300 . ?
 C18 C19 1.390(3) . ?
 C19 H19 0.9300 . ?
 C20 C21 1.399(3) . ?
 C20 C25 1.400(3) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.387(3) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.381(4) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.384(4) . ?
 C24 H24 0.9300 . ?
 C24 C25 1.390(3) . ?
 C25 H25 0.9300 . ?
 C26 H26 0.9300 . ?
 C26 C27 1.382(3) . ?
 C27 H27 0.9300 . ?

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
 N2 N1 C2 103.93(17) . . ?
 N1 N2 N3 115.16(16) . . ?
 N1 N2 C4 123.11(16) . . ?
 N3 N2 C4 121.63(17) . . ?
 C3 N3 N2 102.87(18) . . ?
 C13 N4 C14 119.06(16) . . ?
 C13 N4 C20 119.54(16) . . ?
 C20 N4 C14 119.97(16) . . ?
 O1 C1 H1 118.3 . . ?
 O1 C1 C2 123.4(2) . . ?
 C2 C1 H1 118.3 . . ?
 N1 C2 C1 121.2(2) . . ?
 N1 C2 C3 108.20(19) . . ?
 C3 C2 C1 130.5(2) . . ?
 N3 C3 C2 109.83(19) . . ?
 N3 C3 H3 125.1 . . ?
 C2 C3 H3 125.1 . . ?
 C5 C4 N2 119.37(18) . . ?
 C5 C4 C9 120.48(19) . . ?
 C9 C4 N2 120.10(19) . . ?
 C4 C5 H5 120.3 . . ?
 C4 C5 C6 119.37(19) . . ?
 C6 C5 H5 120.3 . . ?
 C5 C6 H6 119.0 . . ?
 C5 C6 C7 121.99(19) . . ?
 C7 C6 H6 119.0 . . ?
 C6 C7 C10 120.65(18) . . ?
 C8 C7 C6 116.93(19) . . ?
 C8 C7 C10 122.41(18) . . ?
 C7 C8 H8 119.1 . . ?
 C9 C8 C7 121.86(19) . . ?
 C9 C8 H8 119.1 . . ?
 C4 C9 C8 119.3(2) . . ?
 C4 C9 H9 120.3 . . ?
 C8 C9 H9 120.3 . . ?
 C11 C10 C7 122.05(18) . . ?
 C11 C10 C27 116.61(18) . . ?
 C27 C10 C7 121.34(18) . . ?
 C10 C11 H11 119.1 . . ?
 C12 C11 C10 121.73(19) . . ?
 C12 C11 H11 119.1 . . ?
 C11 C12 H12 119.5 . . ?
 C11 C12 C13 120.91(18) . . ?
 C13 C12 H12 119.5 . . ?
 C12 C13 N4 120.99(17) . . ?
 C26 C13 N4 121.08(18) . . ?
 C26 C13 C12 117.93(18) . . ?
 C15 C14 N4 120.74(18) . . ?
 C15 C14 C19 118.98(19) . . ?
 C19 C14 N4 120.27(18) . . ?
 C14 C15 H15 119.7 . . ?
 C14 C15 C16 120.6(2) . . ?
 C16 C15 H15 119.7 . . ?
 C15 C16 H16 119.9 . . ?
 C17 C16 C15 120.2(2) . . ?
 C17 C16 H16 119.9 . . ?
 C16 C17 H17 120.2 . . ?
 C16 C17 C18 119.6(2) . . ?
 C18 C17 H17 120.2 . . ?
 C17 C18 H18 119.6 . . ?
 C17 C18 C19 120.8(2) . . ?
 C19 C18 H18 119.6 . . ?
 C14 C19 H19 120.2 . . ?
 C18 C19 C14 119.7(2) . . ?
 C18 C19 H19 120.2 . . ?
 C21 C20 N4 121.65(18) . . ?
 C21 C20 C25 118.87(19) . . ?
 C25 C20 N4 119.5(2) . . ?
 C20 C21 H21 119.9 . . ?
 C22 C21 C20 120.2(2) . . ?
 C22 C21 H21 119.9 . . ?
 C21 C22 H22 119.7 . . ?
 C23 C22 C21 120.6(3) . . ?
 C23 C22 H22 119.7 . . ?
 C22 C23 H23 120.1 . . ?
 C22 C23 C24 119.9(2) . . ?
 C24 C23 H23 120.1 . . ?
 C23 C24 H24 119.9 . . ?
 C23 C24 C25 120.3(2) . . ?
 C25 C24 H24 119.9 . . ?
 C20 C25 H25 119.9 . . ?
 C24 C25 C20 120.2(2) . . ?
 C24 C25 H25 119.9 . . ?
 C13 C26 H26 119.5 . . ?
 C27 C26 C13 120.9(2) . . ?
 C27 C26 H26 119.5 . . ?
 C10 C27 H27 119.1 . . ?
 C26 C27 C10 121.86(19) . . ?
 C26 C27 H27 119.1 . . ?

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 N1 179.6(2) . . . . ?
 O1 C1 C2 C3 1.2(4) . . . . ?
 N1 N2 N3 C3 0.5(3) . . . . ?
 N1 N2 C4 C5 -174.8(2) . . . . ?
 N1 N2 C4 C9 7.7(3) . . . . ?
 N1 C2 C3 N3 -0.3(3) . . . . ?
 N2 N1 C2 C1 -178.1(2) . . . . ?
 N2 N1 C2 C3 0.6(2) . . . . ?
 N2 N3 C3 C2 -0.1(3) . . . . ?
 N2 C4 C5 C6 -177.47(19) . . . . ?
 N2 C4 C9 C8 178.9(2) . . . . ?
 N3 N2 C4 C5 9.0(3) . . . . ?
 N3 N2 C4 C9 -168.5(2) . . . . ?
 N4 C13 C26 C27 178.0(2) . . . . ?
 N4 C14 C15 C16 -178.3(2) . . . . ?
 N4 C14 C19 C18 177.19(19) . . . . ?
 N4 C20 C21 C22 179.85(19) . . . . ?
 N4 C20 C25 C24 179.3(2) . . . . ?
 C1 C2 C3 N3 178.2(2) . . . . ?
 C2 N1 N2 N3 -0.7(2) . . . . ?
 C2 N1 N2 C4 -177.17(19) . . . . ?
 C4 N2 N3 C3 177.0(2) . . . . ?
 C4 C5 C6 C7 -1.2(3) . . . . ?
 C5 C4 C9 C8 1.5(4) . . . . ?
 C5 C6 C7 C8 0.8(3) . . . . ?
 C5 C6 C7 C10 179.8(2) . . . . ?
 C6 C7 C8 C9 0.7(4) . . . . ?
 C6 C7 C10 C11 -155.0(2) . . . . ?
 C6 C7 C10 C27 24.8(3) . . . . ?
 C7 C8 C9 C4 -1.8(4) . . . . ?
 C7 C10 C11 C12 177.64(19) . . . . ?
 C7 C10 C27 C26 -177.8(2) . . . . ?
 C8 C7 C10 C11 23.9(3) . . . . ?
 C8 C7 C10 C27 -156.3(2) . . . . ?
 C9 C4 C5 C6 0.0(3) . . . . ?
 C10 C7 C8 C9 -178.3(2) . . . . ?
 C10 C11 C12 C13 0.3(3) . . . . ?
 C11 C10 C27 C26 2.0(3) . . . . ?
 C11 C12 C13 N4 -178.15(19) . . . . ?
 C11 C12 C13 C26 1.8(3) . . . . ?
 C12 C13 C26 C27 -1.9(3) . . . . ?
 C13 N4 C14 C15 -36.0(3) . . . . ?
 C13 N4 C14 C19 145.1(2) . . . . ?
 C13 N4 C20 C21 143.2(2) . . . . ?
 C13 N4 C20 C25 -37.5(3) . . . . ?
 C13 C26 C27 C10 0.0(4) . . . . ?
 C14 N4 C13 C12 -50.9(3) . . . . ?
 C14 N4 C13 C26 129.1(2) . . . . ?
 C14 N4 C20 C21 -23.0(3) . . . . ?
 C14 N4 C20 C25 156.23(19) . . . . ?
 C14 C15 C16 C17 1.0(4) . . . . ?
 C15 C14 C19 C18 -1.8(3) . . . . ?
 C15 C16 C17 C18 -1.5(4) . . . . ?
 C16 C17 C18 C19 0.4(4) . . . . ?
 C17 C18 C19 C14 1.3(3) . . . . ?
 C19 C14 C15 C16 0.6(3) . . . . ?
 C20 N4 C13 C12 142.7(2) . . . . ?
 C20 N4 C13 C26 -37.2(3) . . . . ?
 C20 N4 C14 C15 130.3(2) . . . . ?
 C20 N4 C14 C19 -48.6(3) . . . . ?
 C20 C21 C22 C23 0.5(3) . . . . ?
 C21 C20 C25 C24 -1.4(3) . . . . ?
 C21 C22 C23 C24 -0.6(4) . . . . ?
 C22 C23 C24 C25 -0.3(4) . . . . ?
 C23 C24 C25 C20 1.3(4) . . . . ?
 C25 C20 C21 C22 0.6(3) . . . . ?
 C27 C10 C11 C12 -2.1(3) . . . . ?

_shelx_SHELXL_version_number      '2014/7'
_olex2_submission_special_instructions 'No special instructions were received'
