data_01_a
_audit_creation_date               2023-09-05
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_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
;
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.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           '2(C20 H17 N O)'
_chemical_formula_sum              'C40 H34 N2 O2'
_chemical_formula_weight           574.69
_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' 0.0148 0.0070 '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' 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0412 0.0250 '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                     15.8980(8)
_cell_length_b                     7.6272(4)
_cell_length_c                     25.4492(12)
_cell_angle_alpha                  90
_cell_angle_beta                   94.789(2)
_cell_angle_gamma                  90
_cell_volume                       3075.1(3)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9487
_cell_measurement_temperature      260.0
_cell_measurement_theta_max        56.760
_cell_measurement_theta_min        4.040
_shelx_estimated_absorpt_T_max     0.931
_shelx_estimated_absorpt_T_min     0.924
_exptl_absorpt_coefficient_mu      0.382
_exptl_absorpt_correction_T_max    0.7512
_exptl_absorpt_correction_T_min    0.5284
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1432 before and 0.0818 after correction.
The Ratio of minimum to maximum transmission is 0.7034.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear yellowish yellow'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     yellowish
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.241
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1216
_exptl_crystal_size_max            0.21
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.19
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0773
_diffrn_reflns_av_unetI/netI       0.0587
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.994
_diffrn_reflns_limit_h_max         19
_diffrn_reflns_limit_h_min         -19
_diffrn_reflns_limit_k_max         9
_diffrn_reflns_limit_k_min         -7
_diffrn_reflns_limit_l_max         30
_diffrn_reflns_limit_l_min         -31
_diffrn_reflns_number              34502
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.994
_diffrn_reflns_theta_full          53.594
_diffrn_reflns_theta_max           57.098
_diffrn_reflns_theta_min           3.723
_diffrn_ambient_temperature        260.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.994
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             GaK\a
_diffrn_radiation_wavelength       1.34139
_diffrn_source                     ?
_diffrn_source_current             2.86
_diffrn_source_power               0.1997996
_diffrn_source_voltage             69.86
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4185
_reflns_number_total               6283
_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 V8.40B (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max           0.314
_refine_diff_density_min           -0.288
_refine_diff_density_rms           0.043
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.042
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       399
_refine_ls_number_reflns           6283
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0901
_refine_ls_R_factor_gt             0.0544
_refine_ls_restrained_S_all        1.042
_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)+(0.0891P)²+0.2628P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1429
_refine_ls_wR_factor_ref           0.1645
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N1(H1), C1(H1A), C2(H2A), C3(H3), C4(H4), C5(H5), C9(H9), C11(H11),
 C12(H12), C13(H13), C15(H15), C16(H16), C18(H18), C19(H19), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25), C29(H29), C30(H30), C31(H31), C33(H33),
 C35(H35), C36(H36), C38(H38), C39(H39)
2.b Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C40(H40A,H40B,H40C)
;
_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
 O2 O 0.32192(8) 0.6926(2) 0.67860(4) 0.0622(4) Uani 1 1 d . . . . .
 O1 O 0.62051(8) 0.7010(2) 0.69543(4) 0.0742(5) Uani 1 1 d . . . . .
 N2 N 0.57824(8) 0.6786(2) 0.58099(5) 0.0475(4) Uani 1 1 d . . . . .
 H2 H 0.588918 0.629351 0.611216 0.057 Uiso 1 1 calc R U . . .
 N1 N 0.36187(9) 0.7201(3) 0.79337(5) 0.0601(5) Uani 1 1 d . . . . .
 H1 H 0.349021 0.728678 0.759966 0.072 Uiso 1 1 calc R U . . .
 C1 C 0.77904(11) 0.8187(2) 0.79556(7) 0.0490(5) Uani 1 1 d . . . . .
 H1A H 0.745074 0.868239 0.819627 0.059 Uiso 1 1 calc R U . . .
 C2 C 0.86556(13) 0.8406(3) 0.80220(8) 0.0599(5) Uani 1 1 d . . . . .
 H2A H 0.889498 0.906318 0.830377 0.072 Uiso 1 1 calc R U . . .
 C3 C 0.91656(13) 0.7653(3) 0.76712(8) 0.0651(6) Uani 1 1 d . . . . .
 H3 H 0.974788 0.779818 0.771727 0.078 Uiso 1 1 calc R U . . .
 C4 C 0.88090(12) 0.6681(3) 0.72510(8) 0.0610(5) Uani 1 1 d . . . . .
 H4 H 0.915263 0.615835 0.701731 0.073 Uiso 1 1 calc R U . . .
 C5 C 0.79464(11) 0.6485(3) 0.71781(7) 0.0508(5) Uani 1 1 d . . . . .
 H5 H 0.770985 0.585106 0.689052 0.061 Uiso 1 1 calc R U . . .
 C6 C 0.74244(11) 0.7228(2) 0.75309(6) 0.0425(4) Uani 1 1 d . . . . .
 C7 C 0.64914(11) 0.7062(2) 0.74154(6) 0.0468(4) Uani 1 1 d . . . . .
 C8 C 0.59098(11) 0.6923(2) 0.78435(6) 0.0439(4) Uani 1 1 d . . . . .
 C9 C 0.50579(11) 0.7223(3) 0.77194(6) 0.0468(4) Uani 1 1 d . . . . .
 H9 H 0.487356 0.758811 0.738050 0.056 Uiso 1 1 calc R U . . .
 C10 C 0.44688(11) 0.6992(2) 0.80902(6) 0.0464(4) Uani 1 1 d . . . . .
 C11 C 0.47647(11) 0.6474(3) 0.86005(6) 0.0496(5) Uani 1 1 d . . . . .
 H11 H 0.438525 0.631238 0.885528 0.060 Uiso 1 1 calc R U . . .
 C12 C 0.56146(11) 0.6203(2) 0.87276(6) 0.0483(5) Uani 1 1 d . . . . .
 H12 H 0.580198 0.587460 0.906934 0.058 Uiso 1 1 calc R U . . .
 C13 C 0.61929(11) 0.6412(2) 0.83564(6) 0.0451(4) Uani 1 1 d . . . . .
 H13 H 0.676411 0.621473 0.844618 0.054 Uiso 1 1 calc R U . . .
 C14 C 0.29433(10) 0.7290(2) 0.82523(6) 0.0431(4) Uani 1 1 d . . . . .
 C15 C 0.21709(11) 0.6588(3) 0.80677(7) 0.0504(5) Uani 1 1 d . . . . .
 H15 H 0.211822 0.600760 0.774528 0.061 Uiso 1 1 calc R U . . .
 C16 C 0.14778(12) 0.6742(3) 0.83580(8) 0.0550(5) Uani 1 1 d . . . . .
 H16 H 0.096541 0.626580 0.822459 0.066 Uiso 1 1 calc R U . . .
 C17 C 0.15230(12) 0.7582(3) 0.88403(7) 0.0521(5) Uani 1 1 d . . . . .
 C18 C 0.22993(12) 0.8281(2) 0.90221(7) 0.0487(5) Uani 1 1 d . . . . .
 H18 H 0.235043 0.885490 0.934565 0.058 Uiso 1 1 calc R U . . .
 C19 C 0.29993(11) 0.8149(2) 0.87359(6) 0.0459(4) Uani 1 1 d . . . . .
 H19 H 0.351003 0.863733 0.886767 0.055 Uiso 1 1 calc R U . . .
 C20 C 0.07660(13) 0.7723(4) 0.91565(9) 0.0822(7) Uani 1 1 d . . . . .
 H20A H 0.079147 0.682010 0.942015 0.123 Uiso 1 1 calc R U . . .
 H20B H 0.025982 0.758823 0.892667 0.123 Uiso 1 1 calc R U . . .
 H20C H 0.076426 0.885032 0.932416 0.123 Uiso 1 1 calc R U . . .
 C21 C 0.15564(12) 0.8229(3) 0.65997(7) 0.0538(5) Uani 1 1 d . . . . .
 H21 H 0.185240 0.872553 0.689338 0.065 Uiso 1 1 calc R U . . .
 C22 C 0.06932(13) 0.8368(3) 0.65386(9) 0.0669(6) Uani 1 1 d . . . . .
 H22 H 0.040855 0.896641 0.678823 0.080 Uiso 1 1 calc R U . . .
 C23 C 0.02464(13) 0.7619(3) 0.61063(9) 0.0673(6) Uani 1 1 d . . . . .
 H23 H -0.033901 0.770352 0.606671 0.081 Uiso 1 1 calc R U . . .
 C24 C 0.06688(12) 0.6747(3) 0.57348(8) 0.0580(5) Uani 1 1 d . . . . .
 H24 H 0.036768 0.624249 0.544427 0.070 Uiso 1 1 calc R U . . .
 C25 C 0.15392(10) 0.6619(2) 0.57914(6) 0.0454(4) Uani 1 1 d . . . . .
 H25 H 0.182173 0.604002 0.553695 0.054 Uiso 1 1 calc R U . . .
 C26 C 0.19942(10) 0.7354(2) 0.62282(6) 0.0410(4) Uani 1 1 d . . . . .
 C27 C 0.29289(10) 0.7161(2) 0.63320(6) 0.0411(4) Uani 1 1 d . . . . .
 C28 C 0.35010(10) 0.7294(2) 0.59002(6) 0.0369(4) Uani 1 1 d . . . . .
 C29 C 0.32409(10) 0.8048(2) 0.54131(6) 0.0381(4) Uani 1 1 d . . . . .
 H29 H 0.268035 0.837094 0.533464 0.046 Uiso 1 1 calc R U . . .
 C30 C 0.38277(10) 0.8307(2) 0.50495(6) 0.0391(4) Uani 1 1 d . . . . .
 H30 H 0.365530 0.878421 0.472177 0.047 Uiso 1 1 calc R U . . .
 C31 C 0.46659(10) 0.7870(2) 0.51646(6) 0.0383(4) Uani 1 1 d . . . . .
 H31 H 0.505120 0.806583 0.491526 0.046 Uiso 1 1 calc R U . . .
 C32 C 0.49404(10) 0.7137(2) 0.56528(6) 0.0367(4) Uani 1 1 d . . . . .
 C33 C 0.43403(10) 0.6830(2) 0.60128(6) 0.0393(4) Uani 1 1 d . . . . .
 H33 H 0.450669 0.630354 0.633439 0.047 Uiso 1 1 calc R U . . .
 C34 C 0.64774(10) 0.7163(2) 0.55184(6) 0.0383(4) Uani 1 1 d . . . . .
 C35 C 0.65093(10) 0.6611(2) 0.49998(6) 0.0416(4) Uani 1 1 d . . . . .
 H35 H 0.606317 0.597553 0.483447 0.050 Uiso 1 1 calc R U . . .
 C36 C 0.72044(11) 0.7006(2) 0.47304(7) 0.0451(4) Uani 1 1 d . . . . .
 H36 H 0.720750 0.666245 0.437996 0.054 Uiso 1 1 calc R U . . .
 C37 C 0.78968(11) 0.7897(2) 0.49644(7) 0.0497(5) Uani 1 1 d . . . . .
 C38 C 0.78621(11) 0.8396(2) 0.54865(7) 0.0519(5) Uani 1 1 d . . . . .
 H38 H 0.832068 0.897755 0.565745 0.062 Uiso 1 1 calc R U . . .
 C39 C 0.71641(11) 0.8050(2) 0.57594(7) 0.0463(4) Uani 1 1 d . . . . .
 H39 H 0.715621 0.841653 0.610753 0.056 Uiso 1 1 calc R U . . .
 C40 C 0.86505(13) 0.8328(3) 0.46629(9) 0.0747(7) Uani 1 1 d . . . . .
 H40A H 0.905158 0.899459 0.488408 0.112 Uiso 1 1 calc R U . . .
 H40B H 0.846926 0.900316 0.435567 0.112 Uiso 1 1 calc R U . . .
 H40C H 0.890909 0.726152 0.455758 0.112 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
 O2 C27 1.2210(18) . ?
 O1 C7 1.2233(19) . ?
 N2 H2 0.8600 . ?
 N2 C32 1.391(2) . ?
 N2 C34 1.4111(19) . ?
 N1 H1 0.8600 . ?
 N1 C10 1.386(2) . ?
 N1 C14 1.400(2) . ?
 C1 H1A 0.9300 . ?
 C1 C2 1.382(2) . ?
 C1 C6 1.392(2) . ?
 C2 H2A 0.9300 . ?
 C2 C3 1.380(3) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.383(3) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.377(2) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.393(2) . ?
 C6 C7 1.493(2) . ?
 C7 C8 1.490(2) . ?
 C8 C9 1.384(2) . ?
 C8 C13 1.400(2) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.395(2) . ?
 C10 C11 1.401(2) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.378(2) . ?
 C12 H12 0.9300 . ?
 C12 C13 1.381(2) . ?
 C13 H13 0.9300 . ?
 C14 C15 1.385(2) . ?
 C14 C19 1.391(2) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.382(2) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.381(3) . ?
 C17 C18 1.388(3) . ?
 C17 C20 1.506(2) . ?
 C18 H18 0.9300 . ?
 C18 C19 1.384(2) . ?
 C19 H19 0.9300 . ?
 C20 H20A 0.9600 . ?
 C20 H20B 0.9600 . ?
 C20 H20C 0.9600 . ?
 C21 H21 0.9300 . ?
 C21 C22 1.372(3) . ?
 C21 C26 1.390(2) . ?
 C22 H22 0.9300 . ?
 C22 C23 1.382(3) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.376(3) . ?
 C24 H24 0.9300 . ?
 C24 C25 1.383(2) . ?
 C25 H25 0.9300 . ?
 C25 C26 1.392(2) . ?
 C26 C27 1.495(2) . ?
 C27 C28 1.487(2) . ?
 C28 C29 1.397(2) . ?
 C28 C33 1.387(2) . ?
 C29 H29 0.9300 . ?
 C29 C30 1.382(2) . ?
 C30 H30 0.9300 . ?
 C30 C31 1.381(2) . ?
 C31 H31 0.9300 . ?
 C31 C32 1.399(2) . ?
 C32 C33 1.396(2) . ?
 C33 H33 0.9300 . ?
 C34 C35 1.390(2) . ?
 C34 C39 1.383(2) . ?
 C35 H35 0.9300 . ?
 C35 C36 1.382(2) . ?
 C36 H36 0.9300 . ?
 C36 C37 1.385(3) . ?
 C37 C38 1.387(3) . ?
 C37 C40 1.512(2) . ?
 C38 H38 0.9300 . ?
 C38 C39 1.383(2) . ?
 C39 H39 0.9300 . ?
 C40 H40A 0.9600 . ?
 C40 H40B 0.9600 . ?
 C40 H40C 0.9600 . ?

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
 C32 N2 H2 117.0 . . ?
 C32 N2 C34 125.93(13) . . ?
 C34 N2 H2 117.0 . . ?
 C10 N1 H1 116.0 . . ?
 C10 N1 C14 128.01(14) . . ?
 C14 N1 H1 116.0 . . ?
 C2 C1 H1A 119.8 . . ?
 C2 C1 C6 120.39(16) . . ?
 C6 C1 H1A 119.8 . . ?
 C1 C2 H2A 119.9 . . ?
 C3 C2 C1 120.20(19) . . ?
 C3 C2 H2A 119.9 . . ?
 C2 C3 H3 120.1 . . ?
 C2 C3 C4 119.88(19) . . ?
 C4 C3 H3 120.1 . . ?
 C3 C4 H4 119.9 . . ?
 C5 C4 C3 120.11(18) . . ?
 C5 C4 H4 119.9 . . ?
 C4 C5 H5 119.7 . . ?
 C4 C5 C6 120.63(17) . . ?
 C6 C5 H5 119.7 . . ?
 C1 C6 C5 118.78(17) . . ?
 C1 C6 C7 122.79(15) . . ?
 C5 C6 C7 118.30(15) . . ?
 O1 C7 C6 118.39(14) . . ?
 O1 C7 C8 119.67(16) . . ?
 C8 C7 C6 121.93(14) . . ?
 C9 C8 C7 118.45(15) . . ?
 C9 C8 C13 119.41(15) . . ?
 C13 C8 C7 122.05(15) . . ?
 C8 C9 H9 119.2 . . ?
 C8 C9 C10 121.61(15) . . ?
 C10 C9 H9 119.2 . . ?
 N1 C10 C9 118.99(15) . . ?
 N1 C10 C11 122.88(15) . . ?
 C9 C10 C11 118.06(16) . . ?
 C10 C11 H11 119.8 . . ?
 C12 C11 C10 120.44(15) . . ?
 C12 C11 H11 119.8 . . ?
 C11 C12 H12 119.4 . . ?
 C11 C12 C13 121.18(15) . . ?
 C13 C12 H12 119.4 . . ?
 C8 C13 H13 120.4 . . ?
 C12 C13 C8 119.29(15) . . ?
 C12 C13 H13 120.4 . . ?
 C15 C14 N1 119.08(15) . . ?
 C15 C14 C19 118.14(15) . . ?
 C19 C14 N1 122.67(16) . . ?
 C14 C15 H15 119.7 . . ?
 C16 C15 C14 120.65(16) . . ?
 C16 C15 H15 119.7 . . ?
 C15 C16 H16 119.0 . . ?
 C17 C16 C15 122.01(18) . . ?
 C17 C16 H16 119.0 . . ?
 C16 C17 C18 116.95(16) . . ?
 C16 C17 C20 121.55(19) . . ?
 C18 C17 C20 121.49(18) . . ?
 C17 C18 H18 119.0 . . ?
 C19 C18 C17 121.90(16) . . ?
 C19 C18 H18 119.0 . . ?
 C14 C19 H19 119.8 . . ?
 C18 C19 C14 120.35(16) . . ?
 C18 C19 H19 119.8 . . ?
 C17 C20 H20A 109.5 . . ?
 C17 C20 H20B 109.5 . . ?
 C17 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?
 C22 C21 H21 119.6 . . ?
 C22 C21 C26 120.84(19) . . ?
 C26 C21 H21 119.6 . . ?
 C21 C22 H22 120.0 . . ?
 C21 C22 C23 120.05(18) . . ?
 C23 C22 H22 120.0 . . ?
 C22 C23 H23 120.0 . . ?
 C24 C23 C22 119.92(19) . . ?
 C24 C23 H23 120.0 . . ?
 C23 C24 H24 119.9 . . ?
 C23 C24 C25 120.27(19) . . ?
 C25 C24 H24 119.9 . . ?
 C24 C25 H25 119.9 . . ?
 C24 C25 C26 120.23(16) . . ?
 C26 C25 H25 119.9 . . ?
 C21 C26 C25 118.68(16) . . ?
 C21 C26 C27 118.29(16) . . ?
 C25 C26 C27 122.94(14) . . ?
 O2 C27 C26 118.25(14) . . ?
 O2 C27 C28 120.21(15) . . ?
 C28 C27 C26 121.53(13) . . ?
 C29 C28 C27 121.98(14) . . ?
 C33 C28 C27 117.83(14) . . ?
 C33 C28 C29 119.78(13) . . ?
 C28 C29 H29 120.4 . . ?
 C30 C29 C28 119.11(14) . . ?
 C30 C29 H29 120.4 . . ?
 C29 C30 H30 119.4 . . ?
 C31 C30 C29 121.12(14) . . ?
 C31 C30 H30 119.4 . . ?
 C30 C31 H31 119.7 . . ?
 C30 C31 C32 120.58(14) . . ?
 C32 C31 H31 119.7 . . ?
 N2 C32 C31 123.62(13) . . ?
 N2 C32 C33 118.24(13) . . ?
 C33 C32 C31 118.04(14) . . ?
 C28 C33 C32 121.32(14) . . ?
 C28 C33 H33 119.3 . . ?
 C32 C33 H33 119.3 . . ?
 C35 C34 N2 121.96(15) . . ?
 C39 C34 N2 119.36(14) . . ?
 C39 C34 C35 118.63(15) . . ?
 C34 C35 H35 120.0 . . ?
 C36 C35 C34 119.93(16) . . ?
 C36 C35 H35 120.0 . . ?
 C35 C36 H36 118.9 . . ?
 C35 C36 C37 122.25(16) . . ?
 C37 C36 H36 118.9 . . ?
 C36 C37 C38 116.90(15) . . ?
 C36 C37 C40 121.57(17) . . ?
 C38 C37 C40 121.53(18) . . ?
 C37 C38 H38 119.1 . . ?
 C39 C38 C37 121.78(17) . . ?
 C39 C38 H38 119.1 . . ?
 C34 C39 H39 119.8 . . ?
 C38 C39 C34 120.47(16) . . ?
 C38 C39 H39 119.8 . . ?
 C37 C40 H40A 109.5 . . ?
 C37 C40 H40B 109.5 . . ?
 C37 C40 H40C 109.5 . . ?
 H40A C40 H40B 109.5 . . ?
 H40A C40 H40C 109.5 . . ?
 H40B C40 H40C 109.5 . . ?

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
 O2 C27 C28 C29 -161.13(17) . . . . ?
 O2 C27 C28 C33 11.6(2) . . . . ?
 O1 C7 C8 C9 -17.6(3) . . . . ?
 O1 C7 C8 C13 158.98(19) . . . . ?
 N2 C32 C33 C28 174.25(15) . . . . ?
 N2 C34 C35 C36 -179.77(15) . . . . ?
 N2 C34 C39 C38 178.30(16) . . . . ?
 N1 C10 C11 C12 176.82(18) . . . . ?
 N1 C14 C15 C16 -176.21(17) . . . . ?
 N1 C14 C19 C18 176.43(17) . . . . ?
 C1 C2 C3 C4 0.2(3) . . . . ?
 C1 C6 C7 O1 144.58(19) . . . . ?
 C1 C6 C7 C8 -36.7(3) . . . . ?
 C2 C1 C6 C5 0.5(3) . . . . ?
 C2 C1 C6 C7 -175.16(17) . . . . ?
 C2 C3 C4 C5 0.9(3) . . . . ?
 C3 C4 C5 C6 -1.4(3) . . . . ?
 C4 C5 C6 C1 0.6(3) . . . . ?
 C4 C5 C6 C7 176.53(17) . . . . ?
 C5 C6 C7 O1 -31.1(3) . . . . ?
 C5 C6 C7 C8 147.58(17) . . . . ?
 C6 C1 C2 C3 -1.0(3) . . . . ?
 C6 C7 C8 C9 163.66(17) . . . . ?
 C6 C7 C8 C13 -19.7(3) . . . . ?
 C7 C8 C9 C10 175.26(17) . . . . ?
 C7 C8 C13 C12 -176.06(17) . . . . ?
 C8 C9 C10 N1 -175.81(18) . . . . ?
 C8 C9 C10 C11 1.2(3) . . . . ?
 C9 C8 C13 C12 0.5(3) . . . . ?
 C9 C10 C11 C12 -0.1(3) . . . . ?
 C10 N1 C14 C15 -145.8(2) . . . . ?
 C10 N1 C14 C19 38.2(3) . . . . ?
 C10 C11 C12 C13 -0.8(3) . . . . ?
 C11 C12 C13 C8 0.6(3) . . . . ?
 C13 C8 C9 C10 -1.4(3) . . . . ?
 C14 N1 C10 C9 -169.54(19) . . . . ?
 C14 N1 C10 C11 13.6(3) . . . . ?
 C14 C15 C16 C17 -0.4(3) . . . . ?
 C15 C14 C19 C18 0.4(3) . . . . ?
 C15 C16 C17 C18 0.4(3) . . . . ?
 C15 C16 C17 C20 -179.23(19) . . . . ?
 C16 C17 C18 C19 0.0(3) . . . . ?
 C17 C18 C19 C14 -0.4(3) . . . . ?
 C19 C14 C15 C16 0.0(3) . . . . ?
 C20 C17 C18 C19 179.60(18) . . . . ?
 C21 C22 C23 C24 -0.6(3) . . . . ?
 C21 C26 C27 O2 36.1(2) . . . . ?
 C21 C26 C27 C28 -142.26(17) . . . . ?
 C22 C21 C26 C25 0.0(3) . . . . ?
 C22 C21 C26 C27 -176.64(17) . . . . ?
 C22 C23 C24 C25 -0.1(3) . . . . ?
 C23 C24 C25 C26 0.7(3) . . . . ?
 C24 C25 C26 C21 -0.7(3) . . . . ?
 C24 C25 C26 C27 175.79(16) . . . . ?
 C25 C26 C27 O2 -140.35(18) . . . . ?
 C25 C26 C27 C28 41.3(2) . . . . ?
 C26 C21 C22 C23 0.7(3) . . . . ?
 C26 C27 C28 C29 17.2(2) . . . . ?
 C26 C27 C28 C33 -170.10(15) . . . . ?
 C27 C28 C29 C30 172.96(15) . . . . ?
 C27 C28 C33 C32 -171.36(15) . . . . ?
 C28 C29 C30 C31 -1.4(2) . . . . ?
 C29 C28 C33 C32 1.5(3) . . . . ?
 C29 C30 C31 C32 0.6(3) . . . . ?
 C30 C31 C32 N2 -175.08(15) . . . . ?
 C30 C31 C32 C33 1.3(2) . . . . ?
 C31 C32 C33 C28 -2.3(2) . . . . ?
 C32 N2 C34 C35 -52.9(2) . . . . ?
 C32 N2 C34 C39 129.68(18) . . . . ?
 C33 C28 C29 C30 0.4(2) . . . . ?
 C34 N2 C32 C31 2.5(3) . . . . ?
 C34 N2 C32 C33 -173.89(16) . . . . ?
 C34 C35 C36 C37 2.2(3) . . . . ?
 C35 C34 C39 C38 0.8(3) . . . . ?
 C35 C36 C37 C38 -0.5(3) . . . . ?
 C35 C36 C37 C40 -179.65(17) . . . . ?
 C36 C37 C38 C39 -1.1(3) . . . . ?
 C37 C38 C39 C34 1.0(3) . . . . ?
 C39 C34 C35 C36 -2.3(2) . . . . ?
 C40 C37 C38 C39 178.06(17) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
