data_20220216-hjp-10
_audit_creation_date               2022-02-17
_audit_creation_method
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_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 N'
_chemical_formula_sum              'C26 H21 N'
_chemical_formula_weight           347.44
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C28 H25 N O2'
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'

_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/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     5.5140(3)
_cell_length_b                     9.4541(5)
_cell_length_c                     37.289(2)
_cell_angle_alpha                  90
_cell_angle_beta                   92.380(5)
_cell_angle_gamma                  90
_cell_volume                       1942.20(18)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      2693
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        26.5680
_cell_measurement_theta_min        3.9240
_shelx_estimated_absorpt_T_max     0.980
_shelx_estimated_absorpt_T_min     0.977
_exptl_absorpt_coefficient_mu      0.068
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.81031
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.117a (Rigaku Oxford Diffraction, 2021)
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      1.188
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               736
_exptl_crystal_size_max            0.34
_exptl_crystal_size_mid            0.32
_exptl_crystal_size_min            0.29
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0184
_diffrn_reflns_av_unetI/netI       0.0368
_diffrn_reflns_Laue_measured_fraction_full  0.998
_diffrn_reflns_Laue_measured_fraction_max  0.838
_diffrn_reflns_limit_h_max         7
_diffrn_reflns_limit_h_min         -4
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -11
_diffrn_reflns_limit_l_max         50
_diffrn_reflns_limit_l_min         -48
_diffrn_reflns_number              8202
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.838
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           29.127
_diffrn_reflns_theta_min           3.481
_diffrn_ambient_temperature        293(2)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   16.0892
_diffrn_detector_type              Eos
_diffrn_measured_fraction_theta_full  0.998
_diffrn_measured_fraction_theta_max  0.838
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -10.00  16.10   0.30    3.60    --   18.74  77.00 120.00   87
  2  ω    -17.00   8.20   0.30    3.60    --   18.74  88.00 -58.00   84
  3  ω    -50.00  35.20   0.30    3.60    --   18.74 -38.00  60.00  284
  4  ω     -3.00  78.00   0.30    3.60    --   18.74  57.00-150.00  270
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0163890000
_diffrn_orient_matrix_UB_12        0.0679004000
_diffrn_orient_matrix_UB_13        -0.0076372000
_diffrn_orient_matrix_UB_21        0.0486479000
_diffrn_orient_matrix_UB_22        -0.0317559000
_diffrn_orient_matrix_UB_23        -0.0153682000
_diffrn_orient_matrix_UB_31        -0.1179680000
_diffrn_orient_matrix_UB_32        -0.0036406000
_diffrn_orient_matrix_UB_33        -0.0082616000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  2801
_reflns_number_total               4368
_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 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_collection         'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_reduction          'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.156
_refine_diff_density_min           -0.178
_refine_diff_density_rms           0.032
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.070
_refine_ls_hydrogen_treatment      mixed
_refine_ls_matrix_type             full
_refine_ls_number_parameters       269
_refine_ls_number_reflns           4368
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0896
_refine_ls_R_factor_gt             0.0569
_refine_ls_restrained_S_all        1.072
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0407P)²+0.5393P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1257
_refine_ls_wR_factor_ref           0.1475
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  H16 of C16, H6 of C6, H24 of C24, H25 of C25, H17 of C17, H18 of C18, H14
  of C14, H2 of C2, H26 of C26, H4 of C4, H15 of C15, H22 of C22, H23 of C23,
  H5 of C5
 At 1.5 times of:
  H1A of C1
2. Rigid bond restraints
 C1, C2
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.001
3.a Aromatic/amide H refined with riding coordinates:
 C22(H22), C2(H2), C6(H6), C18(H18), C14(H14), C24(H24), C26(H26), C23(H23),
 C5(H5), C4(H4), C16(H16), C15(H15), C17(H17), C25(H25)
3.b Idealised tetrahedral OH refined as rotating group:
 C1(H1A)
;
_atom_sites_solution_hydrogens     mixed
_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
 N1 N 0.2375(3) 0.65909(18) 0.54749(4) 0.0528(4) Uani 1 1 d . . . . .
 C21 C 0.5135(3) 0.3033(2) 0.61092(5) 0.0506(5) Uani 1 1 d . . . . .
 C13 C 1.2951(3) 0.7844(2) 0.70819(5) 0.0516(5) Uani 1 1 d . . . . .
 C8 C 0.5728(3) 0.5603(2) 0.58292(5) 0.0507(5) Uani 1 1 d . . . . .
 C20 C 0.4538(4) 0.4107(2) 0.58276(5) 0.0525(5) Uani 1 1 d . . . . .
 C9 C 0.7678(4) 0.5867(2) 0.60929(5) 0.0539(5) Uani 1 1 d . . . . .
 C7 C 0.4091(4) 0.6827(2) 0.57349(5) 0.0516(5) Uani 1 1 d . . . . .
 C12 C 1.1150(4) 0.7531(2) 0.67902(6) 0.0579(5) Uani 1 1 d . . . . .
 C10 C 0.9260(4) 0.6151(2) 0.63076(5) 0.0581(5) Uani 1 1 d . . . . .
 C22 C 0.3574(4) 0.2828(2) 0.63857(6) 0.0608(5) Uani 1 1 d . . . . .
 H22 H 0.218839 0.338435 0.639584 0.073 Uiso 1 1 calc R U . . .
 C3 C 0.0831(4) 0.7644(2) 0.53842(5) 0.0556(5) Uani 1 1 d . . . . .
 C11 C 1.1169(4) 0.6462(3) 0.65669(6) 0.0603(6) Uani 1 1 d . . . . .
 C2 C -0.1005(4) 0.7321(2) 0.50920(6) 0.0611(5) Uani 1 1 d . U . . .
 H2 H -0.089491 0.644361 0.498079 0.073 Uiso 1 1 calc R U . . .
 C6 C 0.4353(4) 0.8120(2) 0.59064(6) 0.0632(6) Uani 1 1 d . . . . .
 H6 H 0.558287 0.826119 0.608101 0.076 Uiso 1 1 calc R U . . .
 C18 C 1.5075(4) 0.7070(2) 0.71447(6) 0.0639(6) Uani 1 1 d . . . . .
 H18 H 1.547501 0.635721 0.698592 0.077 Uiso 1 1 calc R U . . .
 C14 C 1.2479(4) 0.8922(2) 0.73194(6) 0.0629(6) Uani 1 1 d . . . . .
 H14 H 1.109855 0.947559 0.728039 0.075 Uiso 1 1 calc R U . . .
 C24 C 0.6053(4) 0.0973(2) 0.66385(6) 0.0694(6) Uani 1 1 d . . . . .
 H24 H 0.635889 0.029091 0.681419 0.083 Uiso 1 1 calc R U . . .
 C26 C 0.7177(4) 0.2172(2) 0.61040(7) 0.0691(6) Uani 1 1 d . . . . .
 H26 H 0.826459 0.227836 0.592190 0.083 Uiso 1 1 calc R U . . .
 C23 C 0.4028(4) 0.1812(2) 0.66478(6) 0.0696(6) Uani 1 1 d . . . . .
 H23 H 0.295261 0.169771 0.683126 0.084 Uiso 1 1 calc R U . . .
 C5 C 0.2762(4) 0.9191(2) 0.58139(7) 0.0740(7) Uani 1 1 d . . . . .
 H5 H 0.289049 1.006518 0.592727 0.089 Uiso 1 1 calc R U . . .
 C4 C 0.0972(4) 0.8956(2) 0.55513(7) 0.0713(6) Uani 1 1 d . . . . .
 H4 H -0.012657 0.966742 0.548684 0.086 Uiso 1 1 calc R U . . .
 C16 C 1.6060(4) 0.8405(3) 0.76773(6) 0.0720(7) Uani 1 1 d . . . . .
 H16 H 1.707323 0.857939 0.787804 0.086 Uiso 1 1 calc R U . . .
 C15 C 1.4011(4) 0.9195(3) 0.76130(6) 0.0723(7) Uani 1 1 d . . . . .
 H15 H 1.364654 0.992504 0.776910 0.087 Uiso 1 1 calc R U . . .
 C17 C 1.6596(4) 0.7349(3) 0.74399(7) 0.0714(6) Uani 1 1 d . . . . .
 H17 H 1.799966 0.681580 0.747859 0.086 Uiso 1 1 calc R U . . .
 C25 C 0.7611(4) 0.1155(3) 0.63679(7) 0.0759(7) Uani 1 1 d . . . . .
 H25 H 0.898767 0.058926 0.635970 0.091 Uiso 1 1 calc R U . . .
 C1 C -0.2760(5) 0.8157(3) 0.49771(8) 0.0852(8) Uani 1 1 d . U . . .
 H1A H -0.267417 0.890804 0.508693 0.128 Uiso 1 1 calc R U . . .
 C19 C 0.6183(4) 0.4512(2) 0.55407(6) 0.0593(5) Uani 1 1 d . . . . .
 H20 H 0.281(3) 0.419(2) 0.5768(5) 0.055(5) Uiso 1 1 d . . . . .
 H19A H 0.785(4) 0.412(2) 0.5547(5) 0.061(6) Uiso 1 1 d . . . . .
 H19B H 0.545(3) 0.474(2) 0.5311(6) 0.063(6) Uiso 1 1 d . . . . .
 H1B H -0.401(5) 0.789(3) 0.4774(8) 0.112(9) Uiso 1 1 d . . . . .
 H12 H 0.963(4) 0.817(2) 0.6764(6) 0.085(7) Uiso 1 1 d . . . . .
 H11 H 1.265(4) 0.585(3) 0.6579(6) 0.084(8) Uiso 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
 N1 C7 1.345(2) . ?
 N1 C3 1.344(2) . ?
 C21 C20 1.488(3) . ?
 C21 C22 1.384(3) . ?
 C21 C26 1.390(3) . ?
 C13 C12 1.472(3) . ?
 C13 C18 1.392(3) . ?
 C13 C14 1.383(3) . ?
 C8 C20 1.559(3) . ?
 C8 C9 1.448(3) . ?
 C8 C7 1.500(3) . ?
 C8 C19 1.519(3) . ?
 C20 C19 1.481(3) . ?
 C20 H20 0.973(18) . ?
 C9 C10 1.190(3) . ?
 C7 C6 1.385(3) . ?
 C12 C11 1.310(3) . ?
 C12 H12 1.03(2) . ?
 C10 C11 1.430(3) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.386(3) . ?
 C3 C2 1.488(3) . ?
 C3 C4 1.389(3) . ?
 C11 H11 1.00(2) . ?
 C2 H2 0.9300 . ?
 C2 C1 1.308(3) . ?
 C6 H6 0.9300 . ?
 C6 C5 1.374(3) . ?
 C18 H18 0.9300 . ?
 C18 C17 1.381(3) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.379(3) . ?
 C24 H24 0.9300 . ?
 C24 C23 1.371(3) . ?
 C24 C25 1.363(3) . ?
 C26 H26 0.9300 . ?
 C26 C25 1.389(3) . ?
 C23 H23 0.9300 . ?
 C5 H5 0.9300 . ?
 C5 C4 1.379(3) . ?
 C4 H4 0.9300 . ?
 C16 H16 0.9300 . ?
 C16 C15 1.367(3) . ?
 C16 C17 1.374(3) . ?
 C15 H15 0.9300 . ?
 C17 H17 0.9300 . ?
 C25 H25 0.9300 . ?
 C1 H1A 0.8200 . ?
 C1 H1B 1.03(3) . ?
 C19 H19A 0.99(2) . ?
 C19 H19B 0.96(2) . ?

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
 C3 N1 C7 118.56(17) . . ?
 C22 C21 C20 119.68(18) . . ?
 C22 C21 C26 117.22(19) . . ?
 C26 C21 C20 123.07(19) . . ?
 C18 C13 C12 123.8(2) . . ?
 C14 C13 C12 118.83(19) . . ?
 C14 C13 C18 117.33(19) . . ?
 C9 C8 C20 117.35(17) . . ?
 C9 C8 C7 116.67(17) . . ?
 C9 C8 C19 117.27(18) . . ?
 C7 C8 C20 116.71(16) . . ?
 C7 C8 C19 118.25(16) . . ?
 C19 C8 C20 57.51(13) . . ?
 C21 C20 C8 122.39(16) . . ?
 C21 C20 H20 113.8(12) . . ?
 C8 C20 H20 109.4(12) . . ?
 C19 C20 C21 124.16(19) . . ?
 C19 C20 C8 59.88(13) . . ?
 C19 C20 H20 116.0(11) . . ?
 C10 C9 C8 176.9(2) . . ?
 N1 C7 C8 116.09(17) . . ?
 N1 C7 C6 122.42(19) . . ?
 C6 C7 C8 121.50(18) . . ?
 C13 C12 H12 118.3(13) . . ?
 C11 C12 C13 127.0(2) . . ?
 C11 C12 H12 114.6(13) . . ?
 C9 C10 C11 178.8(2) . . ?
 C21 C22 H22 119.2 . . ?
 C21 C22 C23 121.5(2) . . ?
 C23 C22 H22 119.2 . . ?
 N1 C3 C2 115.91(18) . . ?
 N1 C3 C4 121.70(19) . . ?
 C4 C3 C2 122.4(2) . . ?
 C12 C11 C10 124.3(2) . . ?
 C12 C11 H11 116.3(14) . . ?
 C10 C11 H11 119.4(13) . . ?
 C3 C2 H2 117.0 . . ?
 C1 C2 C3 126.0(2) . . ?
 C1 C2 H2 117.0 . . ?
 C7 C6 H6 120.6 . . ?
 C5 C6 C7 118.8(2) . . ?
 C5 C6 H6 120.6 . . ?
 C13 C18 H18 119.6 . . ?
 C17 C18 C13 120.8(2) . . ?
 C17 C18 H18 119.6 . . ?
 C13 C14 H14 119.3 . . ?
 C15 C14 C13 121.4(2) . . ?
 C15 C14 H14 119.3 . . ?
 C23 C24 H24 120.5 . . ?
 C25 C24 H24 120.5 . . ?
 C25 C24 C23 119.0(2) . . ?
 C21 C26 H26 119.6 . . ?
 C25 C26 C21 120.8(2) . . ?
 C25 C26 H26 119.6 . . ?
 C22 C23 H23 119.8 . . ?
 C24 C23 C22 120.4(2) . . ?
 C24 C23 H23 119.8 . . ?
 C6 C5 H5 120.3 . . ?
 C6 C5 C4 119.4(2) . . ?
 C4 C5 H5 120.3 . . ?
 C3 C4 H4 120.4 . . ?
 C5 C4 C3 119.2(2) . . ?
 C5 C4 H4 120.4 . . ?
 C15 C16 H16 120.6 . . ?
 C15 C16 C17 118.8(2) . . ?
 C17 C16 H16 120.6 . . ?
 C14 C15 H15 119.6 . . ?
 C16 C15 C14 120.8(2) . . ?
 C16 C15 H15 119.6 . . ?
 C18 C17 H17 119.6 . . ?
 C16 C17 C18 120.8(2) . . ?
 C16 C17 H17 119.6 . . ?
 C24 C25 C26 121.1(2) . . ?
 C24 C25 H25 119.5 . . ?
 C26 C25 H25 119.5 . . ?
 C2 C1 H1A 109.5 . . ?
 C2 C1 H1B 123.7(16) . . ?
 H1A C1 H1B 126.8 . . ?
 C8 C19 H19A 114.8(12) . . ?
 C8 C19 H19B 114.1(13) . . ?
 C20 C19 C8 62.60(14) . . ?
 C20 C19 H19A 118.6(12) . . ?
 C20 C19 H19B 117.0(12) . . ?
 H19A C19 H19B 117.7(17) . . ?

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
 N1 C7 C6 C5 1.7(3) . . . . ?
 N1 C3 C2 C1 175.7(2) . . . . ?
 N1 C3 C4 C5 0.8(3) . . . . ?
 C21 C20 C19 C8 -110.8(2) . . . . ?
 C21 C22 C23 C24 -0.2(3) . . . . ?
 C21 C26 C25 C24 0.0(4) . . . . ?
 C13 C12 C11 C10 174.6(2) . . . . ?
 C13 C18 C17 C16 -0.6(4) . . . . ?
 C13 C14 C15 C16 0.3(4) . . . . ?
 C8 C7 C6 C5 -178.5(2) . . . . ?
 C20 C21 C22 C23 178.21(19) . . . . ?
 C20 C21 C26 C25 -178.0(2) . . . . ?
 C20 C8 C7 N1 -37.8(2) . . . . ?
 C20 C8 C7 C6 142.43(19) . . . . ?
 C9 C8 C20 C21 7.2(3) . . . . ?
 C9 C8 C20 C19 -106.4(2) . . . . ?
 C9 C8 C7 N1 176.32(16) . . . . ?
 C9 C8 C7 C6 -3.5(3) . . . . ?
 C9 C8 C19 C20 106.5(2) . . . . ?
 C7 N1 C3 C2 179.31(17) . . . . ?
 C7 N1 C3 C4 0.1(3) . . . . ?
 C7 C8 C20 C21 -138.45(19) . . . . ?
 C7 C8 C20 C19 107.92(19) . . . . ?
 C7 C8 C19 C20 -105.23(19) . . . . ?
 C7 C6 C5 C4 -0.7(4) . . . . ?
 C12 C13 C18 C17 -174.9(2) . . . . ?
 C12 C13 C14 C15 175.2(2) . . . . ?
 C22 C21 C20 C8 100.5(2) . . . . ?
 C22 C21 C20 C19 173.80(19) . . . . ?
 C22 C21 C26 C25 -0.2(3) . . . . ?
 C3 N1 C7 C8 178.84(16) . . . . ?
 C3 N1 C7 C6 -1.4(3) . . . . ?
 C2 C3 C4 C5 -178.4(2) . . . . ?
 C6 C5 C4 C3 -0.5(4) . . . . ?
 C18 C13 C12 C11 4.8(3) . . . . ?
 C18 C13 C14 C15 -1.9(3) . . . . ?
 C14 C13 C12 C11 -172.1(2) . . . . ?
 C14 C13 C18 C17 2.0(3) . . . . ?
 C26 C21 C20 C8 -81.7(3) . . . . ?
 C26 C21 C20 C19 -8.4(3) . . . . ?
 C26 C21 C22 C23 0.3(3) . . . . ?
 C23 C24 C25 C26 0.1(4) . . . . ?
 C4 C3 C2 C1 -5.1(4) . . . . ?
 C15 C16 C17 C18 -1.1(4) . . . . ?
 C17 C16 C15 C14 1.3(4) . . . . ?
 C25 C24 C23 C22 0.0(4) . . . . ?
 C19 C8 C20 C21 113.6(2) . . . . ?
 C19 C8 C7 N1 27.9(3) . . . . ?
 C19 C8 C7 C6 -151.9(2) . . . . ?

_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  1.258
_oxdiff_exptl_absorpt_empirical_full_min  0.751
