data_mo_20211210h_0m_a
_audit_creation_date               2021-12-11
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_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           'C26 H21 N3 O'
_chemical_formula_sum              'C26 H21 N3 O'
_chemical_formula_weight           391.46
_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        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     8.9515(3)
_cell_length_b                     10.7864(4)
_cell_length_c                     11.1927(4)
_cell_angle_alpha                  91.2200(10)
_cell_angle_beta                   97.996(2)
_cell_angle_gamma                  113.7750(10)
_cell_volume                       975.80(6)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      8987
_cell_measurement_temperature      300.00
_cell_measurement_theta_max        27.419
_cell_measurement_theta_min        2.653
_shelx_estimated_absorpt_T_max     0.991
_shelx_estimated_absorpt_T_min     0.989
_exptl_absorpt_coefficient_mu      0.083
_exptl_absorpt_correction_T_max    0.7456
_exptl_absorpt_correction_T_min    0.5630
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0791 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.7551.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light yellow'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.332
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               412
_exptl_crystal_size_max            0.13
_exptl_crystal_size_mid            0.12
_exptl_crystal_size_min            0.11
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0412
_diffrn_reflns_av_unetI/netI       0.0256
_diffrn_reflns_Laue_measured_fraction_full  0.996
_diffrn_reflns_Laue_measured_fraction_max  0.989
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         13
_diffrn_reflns_limit_k_min         -13
_diffrn_reflns_limit_l_max         14
_diffrn_reflns_limit_l_min         -14
_diffrn_reflns_number              25066
_diffrn_reflns_point_group_measured_fraction_full  0.996
_diffrn_reflns_point_group_measured_fraction_max  0.989
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.534
_diffrn_reflns_theta_min           2.653
_diffrn_ambient_temperature        300.00
_diffrn_detector                   'CCD area detector'
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.996
_diffrn_measured_fraction_theta_max  0.989
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'phi and omega scans'
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'sealed X-ray tube'
_diffrn_source_current             30.0
_diffrn_source_power               1.5
_diffrn_source_target              Mo
_diffrn_source_voltage             50.0
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3309
_reflns_number_total               4455
_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 v8.37A (Bruker, 2015)'
_computing_data_collection         'Bruker D8 Venture diffractrometer'
_computing_data_reduction          'SAINT v8.37A (Bruker, 2015)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max           0.228
_refine_diff_density_min           -0.185
_refine_diff_density_rms           0.040
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.024
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       272
_refine_ls_number_reflns           4455
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0663
_refine_ls_R_factor_gt             0.0456
_refine_ls_restrained_S_all        1.024
_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)+(0.0641P)²+0.1335P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1156
_refine_ls_wR_factor_ref           0.1268
_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 Ternary CH refined with riding coordinates:
 C3(H3), C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C5(H5), C6(H6), C7(H7), C8(H8), C14(H14), C15(H15), C16(H16),
 C17(H17), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
2.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_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 0.04380(16) 0.74127(15) 0.45522(12) 0.0824(4) Uani 1 1 d . . . . .
 N1 N 0.39484(15) 0.75063(13) 0.87289(11) 0.0552(3) Uani 1 1 d . . . . .
 H1 H 0.467798 0.799008 0.933005 0.066 Uiso 1 1 calc R U . . .
 N2 N 0.63197(15) 0.70273(14) 0.99919(12) 0.0594(3) Uani 1 1 d . . . . .
 N3 N 0.27617(18) 0.82153(14) 0.36585(11) 0.0623(4) Uani 1 1 d . . . . .
 C1 C 0.2018(3) 0.8520(2) 0.25308(17) 0.0978(7) Uani 1 1 d . . . . .
 H1A H 0.262263 0.945591 0.240072 0.147 Uiso 1 1 calc R U . . .
 H1B H 0.089049 0.835580 0.257173 0.147 Uiso 1 1 calc R U . . .
 H1C H 0.204906 0.794836 0.187362 0.147 Uiso 1 1 calc R U . . .
 C2 C 0.1911(2) 0.77235(16) 0.45935(14) 0.0569(4) Uani 1 1 d . . . . .
 C3 C 0.31451(16) 0.76259(13) 0.56406(11) 0.0435(3) Uani 1 1 d . . . . .
 H3 H 0.331340 0.831793 0.628767 0.052 Uiso 1 1 calc R U . . .
 C4 C 0.47185(17) 0.80554(13) 0.51113(11) 0.0442(3) Uani 1 1 d . . . . .
 C5 C 0.62888(19) 0.81902(15) 0.55753(15) 0.0573(4) Uani 1 1 d . . . . .
 H5 H 0.651477 0.796385 0.635662 0.069 Uiso 1 1 calc R U . . .
 C6 C 0.7534(2) 0.86661(18) 0.48698(19) 0.0734(5) Uani 1 1 d . . . . .
 H6 H 0.859374 0.875141 0.517866 0.088 Uiso 1 1 calc R U . . .
 C7 C 0.7208(3) 0.90126(18) 0.37152(19) 0.0791(6) Uani 1 1 d . . . . .
 H7 H 0.805238 0.932760 0.325188 0.095 Uiso 1 1 calc R U . . .
 C8 C 0.5649(3) 0.88992(16) 0.32364(15) 0.0706(5) Uani 1 1 d . . . . .
 H8 H 0.543250 0.913738 0.245827 0.085 Uiso 1 1 calc R U . . .
 C9 C 0.4418(2) 0.84224(13) 0.39435(12) 0.0525(4) Uani 1 1 d . . . . .
 C10 C 0.24727(17) 0.62180(13) 0.61637(11) 0.0459(3) Uani 1 1 d . . . . .
 H10 H 0.208746 0.552912 0.547494 0.055 Uiso 1 1 calc R U . . .
 C11 C 0.09617(17) 0.60052(15) 0.67819(13) 0.0534(3) Uani 1 1 d . . . . .
 H11A H 0.001756 0.584038 0.615947 0.064 Uiso 1 1 calc R U . . .
 H11B H 0.070960 0.519666 0.721876 0.064 Uiso 1 1 calc R U . . .
 C12 C 0.11781(16) 0.71708(13) 0.76450(11) 0.0439(3) Uani 1 1 d . . . . .
 C13 C 0.25647(16) 0.78116(13) 0.85468(11) 0.0424(3) Uani 1 1 d . . . . .
 C14 C 0.26073(18) 0.88522(15) 0.93374(13) 0.0514(3) Uani 1 1 d . . . . .
 H14 H 0.351502 0.926807 0.994621 0.062 Uiso 1 1 calc R U . . .
 C15 C 0.1339(2) 0.92754(17) 0.92363(14) 0.0596(4) Uani 1 1 d . . . . .
 H15 H 0.139125 0.996497 0.977587 0.072 Uiso 1 1 calc R U . . .
 C16 C -0.0004(2) 0.86767(18) 0.83366(15) 0.0633(4) Uani 1 1 d . . . . .
 H16 H -0.086232 0.896165 0.825424 0.076 Uiso 1 1 calc R U . . .
 C17 C -0.00595(18) 0.76470(16) 0.75582(13) 0.0547(4) Uani 1 1 d . . . . .
 H17 H -0.096736 0.725211 0.694605 0.066 Uiso 1 1 calc R U . . .
 C18 C 0.37768(17) 0.59686(12) 0.69948(12) 0.0443(3) Uani 1 1 d . . . . .
 C19 C 0.44045(16) 0.65952(12) 0.81539(11) 0.0421(3) Uani 1 1 d . . . . .
 C20 C 0.57050(16) 0.63490(13) 0.88708(13) 0.0473(3) Uani 1 1 d . . . . .
 C21 C 0.62879(19) 0.54291(15) 0.84118(16) 0.0574(4) Uani 1 1 d . . . . .
 C22 C 0.5583(2) 0.47734(16) 0.72477(17) 0.0685(5) Uani 1 1 d . . . . .
 H22 H 0.594246 0.415589 0.693439 0.082 Uiso 1 1 calc R U . . .
 C23 C 0.4378(2) 0.50375(15) 0.65788(15) 0.0595(4) Uani 1 1 d . . . . .
 H23 H 0.392674 0.458629 0.581146 0.071 Uiso 1 1 calc R U . . .
 C24 C 0.7541(2) 0.52235(19) 0.9184(2) 0.0764(5) Uani 1 1 d . . . . .
 H24 H 0.795822 0.461991 0.892539 0.092 Uiso 1 1 calc R U . . .
 C25 C 0.8138(2) 0.5896(2) 1.0293(2) 0.0804(6) Uani 1 1 d . . . . .
 H25 H 0.896492 0.576186 1.080209 0.096 Uiso 1 1 calc R U . . .
 C26 C 0.7495(2) 0.6795(2) 1.06649(17) 0.0735(5) Uani 1 1 d . . . . .
 H26 H 0.791860 0.725676 1.143032 0.088 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 C2 1.216(2) . ?
 N1 H1 0.8600 . ?
 N1 C13 1.3949(17) . ?
 N1 C19 1.3843(16) . ?
 N2 C20 1.3626(19) . ?
 N2 C26 1.318(2) . ?
 N3 C1 1.451(2) . ?
 N3 C2 1.370(2) . ?
 N3 C9 1.396(2) . ?
 C1 H1A 0.9600 . ?
 C1 H1B 0.9600 . ?
 C1 H1C 0.9600 . ?
 C2 C3 1.531(2) . ?
 C3 H3 0.9800 . ?
 C3 C4 1.5056(18) . ?
 C3 C10 1.5525(19) . ?
 C4 C5 1.377(2) . ?
 C4 C9 1.3955(19) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.389(2) . ?
 C6 H6 0.9300 . ?
 C6 C7 1.378(3) . ?
 C7 H7 0.9300 . ?
 C7 C8 1.379(3) . ?
 C8 H8 0.9300 . ?
 C8 C9 1.382(2) . ?
 C10 H10 0.9800 . ?
 C10 C11 1.542(2) . ?
 C10 C18 1.5041(19) . ?
 C11 H11A 0.9700 . ?
 C11 H11B 0.9700 . ?
 C11 C12 1.5004(19) . ?
 C12 C13 1.4026(18) . ?
 C12 C17 1.390(2) . ?
 C13 C14 1.3993(18) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.377(2) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.373(2) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.377(2) . ?
 C17 H17 0.9300 . ?
 C18 C19 1.3818(18) . ?
 C18 C23 1.4146(19) . ?
 C19 C20 1.4381(19) . ?
 C20 C21 1.411(2) . ?
 C21 C22 1.403(2) . ?
 C21 C24 1.412(2) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.355(2) . ?
 C23 H23 0.9300 . ?
 C24 H24 0.9300 . ?
 C24 C25 1.348(3) . ?
 C25 H25 0.9300 . ?
 C25 C26 1.395(3) . ?
 C26 H26 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
 C13 N1 H1 113.0 . . ?
 C19 N1 H1 113.0 . . ?
 C19 N1 C13 134.03(11) . . ?
 C26 N2 C20 117.88(15) . . ?
 C2 N3 C1 123.22(16) . . ?
 C2 N3 C9 111.84(12) . . ?
 C9 N3 C1 124.91(16) . . ?
 N3 C1 H1A 109.5 . . ?
 N3 C1 H1B 109.5 . . ?
 N3 C1 H1C 109.5 . . ?
 H1A C1 H1B 109.5 . . ?
 H1A C1 H1C 109.5 . . ?
 H1B C1 H1C 109.5 . . ?
 O1 C2 N3 124.45(15) . . ?
 O1 C2 C3 128.21(15) . . ?
 N3 C2 C3 107.32(13) . . ?
 C2 C3 H3 107.8 . . ?
 C2 C3 C10 111.71(11) . . ?
 C4 C3 C2 102.90(11) . . ?
 C4 C3 H3 107.8 . . ?
 C4 C3 C10 118.43(11) . . ?
 C10 C3 H3 107.8 . . ?
 C5 C4 C3 132.67(12) . . ?
 C5 C4 C9 119.05(13) . . ?
 C9 C4 C3 108.20(12) . . ?
 C4 C5 H5 120.2 . . ?
 C4 C5 C6 119.63(15) . . ?
 C6 C5 H5 120.2 . . ?
 C5 C6 H6 119.8 . . ?
 C7 C6 C5 120.39(18) . . ?
 C7 C6 H6 119.8 . . ?
 C6 C7 H7 119.5 . . ?
 C6 C7 C8 120.99(16) . . ?
 C8 C7 H7 119.5 . . ?
 C7 C8 H8 120.9 . . ?
 C7 C8 C9 118.22(16) . . ?
 C9 C8 H8 120.9 . . ?
 C4 C9 N3 109.63(13) . . ?
 C8 C9 N3 128.65(15) . . ?
 C8 C9 C4 121.71(16) . . ?
 C3 C10 H10 106.9 . . ?
 C11 C10 C3 111.50(11) . . ?
 C11 C10 H10 106.9 . . ?
 C18 C10 C3 113.10(11) . . ?
 C18 C10 H10 106.9 . . ?
 C18 C10 C11 111.26(11) . . ?
 C10 C11 H11A 108.6 . . ?
 C10 C11 H11B 108.6 . . ?
 H11A C11 H11B 107.5 . . ?
 C12 C11 C10 114.81(11) . . ?
 C12 C11 H11A 108.6 . . ?
 C12 C11 H11B 108.6 . . ?
 C13 C12 C11 123.65(12) . . ?
 C17 C12 C11 118.73(13) . . ?
 C17 C12 C13 117.62(13) . . ?
 N1 C13 C12 125.29(12) . . ?
 N1 C13 C14 115.80(12) . . ?
 C14 C13 C12 118.91(12) . . ?
 C13 C14 H14 119.2 . . ?
 C15 C14 C13 121.63(14) . . ?
 C15 C14 H14 119.2 . . ?
 C14 C15 H15 120.1 . . ?
 C16 C15 C14 119.82(14) . . ?
 C16 C15 H15 120.1 . . ?
 C15 C16 H16 120.5 . . ?
 C15 C16 C17 118.91(14) . . ?
 C17 C16 H16 120.5 . . ?
 C12 C17 H17 118.5 . . ?
 C16 C17 C12 123.07(14) . . ?
 C16 C17 H17 118.5 . . ?
 C19 C18 C10 123.08(12) . . ?
 C19 C18 C23 118.28(13) . . ?
 C23 C18 C10 118.64(12) . . ?
 N1 C19 C20 113.59(11) . . ?
 C18 C19 N1 126.78(12) . . ?
 C18 C19 C20 119.59(12) . . ?
 N2 C20 C19 117.29(12) . . ?
 N2 C20 C21 122.55(13) . . ?
 C21 C20 C19 120.16(13) . . ?
 C20 C21 C24 116.54(17) . . ?
 C22 C21 C20 118.75(14) . . ?
 C22 C21 C24 124.71(16) . . ?
 C21 C22 H22 119.9 . . ?
 C23 C22 C21 120.17(14) . . ?
 C23 C22 H22 119.9 . . ?
 C18 C23 H23 118.5 . . ?
 C22 C23 C18 122.97(15) . . ?
 C22 C23 H23 118.5 . . ?
 C21 C24 H24 119.7 . . ?
 C25 C24 C21 120.51(18) . . ?
 C25 C24 H24 119.7 . . ?
 C24 C25 H25 120.6 . . ?
 C24 C25 C26 118.86(17) . . ?
 C26 C25 H25 120.6 . . ?
 N2 C26 C25 123.66(19) . . ?
 N2 C26 H26 118.2 . . ?
 C25 C26 H26 118.2 . . ?

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 C2 C3 C4 175.92(16) . . . . ?
 O1 C2 C3 C10 47.8(2) . . . . ?
 N1 C13 C14 C15 178.37(13) . . . . ?
 N1 C19 C20 N2 -0.38(18) . . . . ?
 N1 C19 C20 C21 179.17(12) . . . . ?
 N2 C20 C21 C22 179.92(13) . . . . ?
 N2 C20 C21 C24 0.9(2) . . . . ?
 N3 C2 C3 C4 -2.93(15) . . . . ?
 N3 C2 C3 C10 -131.02(12) . . . . ?
 C1 N3 C2 O1 4.8(3) . . . . ?
 C1 N3 C2 C3 -176.34(15) . . . . ?
 C1 N3 C9 C4 178.35(15) . . . . ?
 C1 N3 C9 C8 -2.2(3) . . . . ?
 C2 N3 C9 C4 0.29(17) . . . . ?
 C2 N3 C9 C8 179.75(15) . . . . ?
 C2 C3 C4 C5 179.95(14) . . . . ?
 C2 C3 C4 C9 3.11(13) . . . . ?
 C2 C3 C10 C11 -66.53(14) . . . . ?
 C2 C3 C10 C18 167.19(11) . . . . ?
 C3 C4 C5 C6 -177.57(14) . . . . ?
 C3 C4 C9 N3 -2.25(14) . . . . ?
 C3 C4 C9 C8 178.24(13) . . . . ?
 C3 C10 C11 C12 -48.09(16) . . . . ?
 C3 C10 C18 C19 73.84(16) . . . . ?
 C3 C10 C18 C23 -106.92(14) . . . . ?
 C4 C3 C10 C11 174.21(11) . . . . ?
 C4 C3 C10 C18 47.93(15) . . . . ?
 C4 C5 C6 C7 0.5(3) . . . . ?
 C5 C4 C9 N3 -179.59(12) . . . . ?
 C5 C4 C9 C8 0.9(2) . . . . ?
 C5 C6 C7 C8 0.2(3) . . . . ?
 C6 C7 C8 C9 -0.3(3) . . . . ?
 C7 C8 C9 N3 -179.65(15) . . . . ?
 C7 C8 C9 C4 -0.2(2) . . . . ?
 C9 N3 C2 O1 -177.13(15) . . . . ?
 C9 N3 C2 C3 1.77(17) . . . . ?
 C9 C4 C5 C6 -1.0(2) . . . . ?
 C10 C3 C4 C5 -56.3(2) . . . . ?
 C10 C3 C4 C9 126.86(12) . . . . ?
 C10 C11 C12 C13 -48.40(18) . . . . ?
 C10 C11 C12 C17 131.89(13) . . . . ?
 C10 C18 C19 N1 0.8(2) . . . . ?
 C10 C18 C19 C20 -177.14(12) . . . . ?
 C10 C18 C23 C22 178.16(14) . . . . ?
 C11 C10 C18 C19 -52.57(16) . . . . ?
 C11 C10 C18 C23 126.67(13) . . . . ?
 C11 C12 C13 N1 3.2(2) . . . . ?
 C11 C12 C13 C14 -177.27(12) . . . . ?
 C11 C12 C17 C16 177.50(13) . . . . ?
 C12 C13 C14 C15 -1.2(2) . . . . ?
 C13 N1 C19 C18 19.9(2) . . . . ?
 C13 N1 C19 C20 -162.10(14) . . . . ?
 C13 C12 C17 C16 -2.2(2) . . . . ?
 C13 C14 C15 C16 -0.4(2) . . . . ?
 C14 C15 C16 C17 0.7(2) . . . . ?
 C15 C16 C17 C12 0.6(2) . . . . ?
 C17 C12 C13 N1 -177.09(13) . . . . ?
 C17 C12 C13 C14 2.44(18) . . . . ?
 C18 C10 C11 C12 79.19(15) . . . . ?
 C18 C19 C20 N2 177.81(12) . . . . ?
 C18 C19 C20 C21 -2.64(19) . . . . ?
 C19 N1 C13 C12 0.9(2) . . . . ?
 C19 N1 C13 C14 -178.65(14) . . . . ?
 C19 C18 C23 C22 -2.6(2) . . . . ?
 C19 C20 C21 C22 0.4(2) . . . . ?
 C19 C20 C21 C24 -178.65(13) . . . . ?
 C20 N2 C26 C25 -0.1(2) . . . . ?
 C20 C21 C22 C23 0.8(2) . . . . ?
 C20 C21 C24 C25 -0.6(2) . . . . ?
 C21 C22 C23 C18 0.3(3) . . . . ?
 C21 C24 C25 C26 0.1(3) . . . . ?
 C22 C21 C24 C25 -179.62(16) . . . . ?
 C23 C18 C19 N1 -178.45(13) . . . . ?
 C23 C18 C19 C20 3.62(19) . . . . ?
 C24 C21 C22 C23 179.72(15) . . . . ?
 C24 C25 C26 N2 0.3(3) . . . . ?
 C26 N2 C20 C19 179.01(13) . . . . ?
 C26 N2 C20 C21 -0.5(2) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
