# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_sfu03
_database_code_depnum_ccdc_archive 'CCDC 2305928'
loop_
_audit_author_name
_audit_author_address
'Tomokatsu Enda'
;Toho University
Japan
;
_audit_update_record             
;
2023-11-06 deposited with the CCDC.	2023-12-18 downloaded from the CCDC.
;
_audit_creation_date             2023-11-06
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H22 N2 O'
_chemical_formula_sum            'C32 H22 N2 O'
_chemical_formula_weight         450.51
_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 0.0033 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      tetragonal
_space_group_IT_number           114
_space_group_name_H-M_alt        'P -4 21 c'
_space_group_name_Hall           'P -4 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   23.6044(8)
_cell_length_b                   23.6044(8)
_cell_length_c                   8.2487(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4595.9(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6039
_cell_measurement_temperature    93.15
_cell_measurement_theta_max      21.1960
_cell_measurement_theta_min      2.4420
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.158
_exptl_crystal_size_mid          0.076
_exptl_crystal_size_min          0.024
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1174
_diffrn_reflns_av_unetI/netI     0.0953
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            37804
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_min         2.616
_diffrn_ambient_temperature      93.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -87.00  75.00   0.50    5.00    --  -15.00  55.00-180.00  324
  2  ω    -84.50  70.50   0.50    5.00    --  -15.00  27.00  90.00  310
  3  ω    -70.00 -43.00   0.50    5.00    --  -15.00  55.00   0.00   54
  4  ω     -8.00  17.50   0.50    5.00    --  -15.00  27.00 -90.00   51
  5  ω   -103.50 -78.50   0.50    5.00    --  -15.00   0.00 -90.00   50
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0106476000
_diffrn_orient_matrix_UB_12      0.0120420000
_diffrn_orient_matrix_UB_13      0.0726631000
_diffrn_orient_matrix_UB_21      0.0113123000
_diffrn_orient_matrix_UB_22      -0.0266673000
_diffrn_orient_matrix_UB_23      0.0226476000
_diffrn_orient_matrix_UB_31      0.0257071000
_diffrn_orient_matrix_UB_32      0.0068106000
_diffrn_orient_matrix_UB_33      -0.0401360000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.787
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                3688
_reflns_number_total             5281
_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 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.211
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.046
_refine_ls_abs_structure_details 
;
 Flack x determined using 1223 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.8(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5281
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0973
_refine_ls_R_factor_gt           0.0589
_refine_ls_restrained_S_all      1.036
_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)+(0.0501P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
_refine_ls_wR_factor_ref         0.1203
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 C7, N11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C26(H26), C25(H25), C17(H17), C14(H14), C31(H31), C29(H29), C19(H19),
 C28(H28), C16(H16), C13(H13), C35(H35), C32(H32), C34(H34), C20(H20), C3(H3),
 C23(H23), C6(H6), C33(H33), C5(H5), C4(H4), C22(H22), C21(H21)
;
_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
O8 O 0.37844(9) 0.28659(10) 0.2363(3) 0.0286(6) Uani 1 1 d . . . . .
N11 N 0.38079(11) 0.19591(11) 0.1675(3) 0.0199(6) Uani 1 1 d . . . . .
N2 N 0.49586(11) 0.29428(11) 0.2112(3) 0.0256(7) Uani 1 1 d . . . . .
C26 C 0.19632(13) 0.12512(13) 0.3286(4) 0.0208(8) Uani 1 1 d . . . . .
H26 H 0.165853 0.127423 0.403505 0.025 Uiso 1 1 calc R U . . .
C25 C 0.23700(13) 0.16724(14) 0.3270(4) 0.0224(8) Uani 1 1 d . . . . .
H25 H 0.233927 0.198262 0.399866 0.027 Uiso 1 1 calc R U . . .
C30 C 0.15536(13) 0.03389(13) 0.2235(4) 0.0208(7) Uani 1 1 d . . . . .
C7 C 0.40931(14) 0.24261(15) 0.1825(4) 0.0259(9) Uani 1 1 d . . . . .
C12 C 0.28032(13) 0.30568(14) 0.3048(4) 0.0229(8) Uani 1 1 d . . . . .
C17 C 0.22431(13) 0.30047(14) 0.2520(4) 0.0228(8) Uani 1 1 d . . . . .
H17 H 0.213760 0.269270 0.185794 0.027 Uiso 1 1 calc R U . . .
C24 C 0.28245(13) 0.16461(13) 0.2196(4) 0.0200(7) Uani 1 1 d . . . . .
C1 C 0.46913(14) 0.25062(13) 0.1412(4) 0.0214(8) Uani 1 1 d . . . . .
C15 C 0.19811(13) 0.38732(14) 0.3892(4) 0.0219(8) Uani 1 1 d . . . . .
C27 C 0.19920(13) 0.07889(13) 0.2212(4) 0.0199(7) Uani 1 1 d . . . . .
C18 C 0.15645(14) 0.43267(14) 0.4261(4) 0.0231(8) Uani 1 1 d . . . . .
C14 C 0.25449(14) 0.39237(15) 0.4401(5) 0.0264(9) Uani 1 1 d . . . . .
H14 H 0.265354 0.424137 0.503635 0.032 Uiso 1 1 calc R U . . .
C31 C 0.12862(14) 0.01879(14) 0.3667(5) 0.0255(8) Uani 1 1 d . . . . .
H31 H 0.137938 0.038017 0.464320 0.031 Uiso 1 1 calc R U . . .
C29 C 0.28641(14) 0.11858(14) 0.1149(4) 0.0238(8) Uani 1 1 d . . . . .
H29 H 0.317498 0.115984 0.042089 0.029 Uiso 1 1 calc R U . . .
C10 C 0.32576(13) 0.20912(14) 0.2156(4) 0.0240(8) Uani 1 1 d . . . . .
C19 C 0.16067(15) 0.46577(14) 0.5651(5) 0.0268(9) Uani 1 1 d . . . . .
H19 H 0.189515 0.457832 0.642174 0.032 Uiso 1 1 calc R U . . .
C28 C 0.24551(14) 0.07648(15) 0.1156(4) 0.0240(8) Uani 1 1 d . . . . .
H28 H 0.248971 0.045417 0.043059 0.029 Uiso 1 1 calc R U . . .
C16 C 0.18425(13) 0.34015(13) 0.2950(4) 0.0235(8) Uani 1 1 d . . . . .
H16 H 0.146252 0.335318 0.259614 0.028 Uiso 1 1 calc R U . . .
C13 C 0.29469(15) 0.35215(14) 0.3999(4) 0.0248(8) Uani 1 1 d . . . . .
H13 H 0.332494 0.356309 0.437647 0.030 Uiso 1 1 calc R U . . .
C35 C 0.13993(14) 0.00581(14) 0.0809(5) 0.0247(8) Uani 1 1 d . . . . .
H35 H 0.157634 0.015760 -0.018539 0.030 Uiso 1 1 calc R U . . .
C9 C 0.32415(13) 0.26518(14) 0.2563(4) 0.0227(8) Uani 1 1 d . . . . .
C32 C 0.08833(15) -0.02415(16) 0.3693(5) 0.0308(9) Uani 1 1 d . . . . .
H32 H 0.070929 -0.034603 0.468764 0.037 Uiso 1 1 calc R U . . .
C34 C 0.09910(15) -0.03634(15) 0.0830(5) 0.0289(9) Uani 1 1 d . . . . .
H34 H 0.088525 -0.054859 -0.014653 0.035 Uiso 1 1 calc R U . . .
C20 C 0.12339(15) 0.51025(15) 0.5932(5) 0.0308(9) Uani 1 1 d . . . . .
H20 H 0.126928 0.532527 0.688533 0.037 Uiso 1 1 calc R U . . .
C3 C 0.55060(15) 0.30117(16) 0.1733(4) 0.0306(9) Uani 1 1 d . . . . .
H3 H 0.570368 0.331993 0.221096 0.037 Uiso 1 1 calc R U . . .
C23 C 0.11254(14) 0.44472(16) 0.3170(5) 0.0315(9) Uani 1 1 d . . . . .
H23 H 0.107857 0.421942 0.223058 0.038 Uiso 1 1 calc R U . . .
C6 C 0.49489(15) 0.21365(15) 0.0334(4) 0.0290(9) Uani 1 1 d . . . . .
H6 H 0.474226 0.183555 -0.015057 0.035 Uiso 1 1 calc R U . . .
C33 C 0.07363(15) -0.05143(15) 0.2290(5) 0.0327(9) Uani 1 1 d . . . . .
H33 H 0.046019 -0.080695 0.231236 0.039 Uiso 1 1 calc R U . . .
C5 C 0.55148(16) 0.22190(17) -0.0012(5) 0.0364(10) Uani 1 1 d . . . . .
H5 H 0.570739 0.197121 -0.073286 0.044 Uiso 1 1 calc R U . . .
C4 C 0.57973(15) 0.26652(16) 0.0701(5) 0.0333(10) Uani 1 1 d . . . . .
H4 H 0.618670 0.273054 0.047831 0.040 Uiso 1 1 calc R U . . .
C22 C 0.07595(15) 0.48949(17) 0.3449(5) 0.0398(10) Uani 1 1 d . . . . .
H22 H 0.046982 0.497790 0.268582 0.048 Uiso 1 1 calc R U . . .
C21 C 0.08125(16) 0.52204(17) 0.4824(5) 0.0372(10) Uani 1 1 d . . . . .
H21 H 0.055902 0.552615 0.501081 0.045 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
O8 C7 1.344(4) . ?
O8 C9 1.387(4) . ?
N11 C7 1.298(4) . ?
N11 C10 1.393(4) . ?
N2 C1 1.339(4) . ?
N2 C3 1.339(4) . ?
C26 H26 0.9500 . ?
C26 C25 1.382(4) . ?
C26 C27 1.407(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.393(5) . ?
C30 C27 1.483(4) . ?
C30 C31 1.386(5) . ?
C30 C35 1.399(5) . ?
C7 C1 1.465(5) . ?
C12 C17 1.398(4) . ?
C12 C13 1.391(5) . ?
C12 C9 1.464(4) . ?
C17 H17 0.9500 . ?
C17 C16 1.377(4) . ?
C24 C29 1.391(5) . ?
C24 C10 1.466(4) . ?
C1 C6 1.386(5) . ?
C15 C18 1.485(5) . ?
C15 C14 1.401(4) . ?
C15 C16 1.397(5) . ?
C27 C28 1.399(5) . ?
C18 C19 1.391(5) . ?
C18 C23 1.402(5) . ?
C14 H14 0.9500 . ?
C14 C13 1.383(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.390(5) . ?
C29 H29 0.9500 . ?
C29 C28 1.386(4) . ?
C10 C9 1.366(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.389(5) . ?
C28 H28 0.9500 . ?
C16 H16 0.9500 . ?
C13 H13 0.9500 . ?
C35 H35 0.9500 . ?
C35 C34 1.385(5) . ?
C32 H32 0.9500 . ?
C32 C33 1.369(5) . ?
C34 H34 0.9500 . ?
C34 C33 1.392(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.379(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.366(5) . ?
C23 H23 0.9500 . ?
C23 C22 1.384(5) . ?
C6 H6 0.9500 . ?
C6 C5 1.380(5) . ?
C33 H33 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.378(5) . ?
C4 H4 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.376(6) . ?
C21 H21 0.9500 . ?

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
C7 O8 C9 105.0(2) . . ?
C7 N11 C10 105.4(3) . . ?
C3 N2 C1 116.6(3) . . ?
C25 C26 H26 119.4 . . ?
C25 C26 C27 121.2(3) . . ?
C27 C26 H26 119.4 . . ?
C26 C25 H25 119.7 . . ?
C26 C25 C24 120.6(3) . . ?
C24 C25 H25 119.7 . . ?
C31 C30 C27 120.9(3) . . ?
C31 C30 C35 118.4(3) . . ?
C35 C30 C27 120.7(3) . . ?
O8 C7 C1 120.0(3) . . ?
N11 C7 O8 114.0(3) . . ?
N11 C7 C1 126.0(3) . . ?
C17 C12 C9 121.7(3) . . ?
C13 C12 C17 118.4(3) . . ?
C13 C12 C9 119.8(3) . . ?
C12 C17 H17 119.7 . . ?
C16 C17 C12 120.6(3) . . ?
C16 C17 H17 119.7 . . ?
C25 C24 C10 121.3(3) . . ?
C29 C24 C25 118.8(3) . . ?
C29 C24 C10 119.9(3) . . ?
N2 C1 C7 116.9(3) . . ?
N2 C1 C6 123.7(3) . . ?
C6 C1 C7 119.4(3) . . ?
C14 C15 C18 120.4(3) . . ?
C16 C15 C18 122.2(3) . . ?
C16 C15 C14 117.2(3) . . ?
C26 C27 C30 120.9(3) . . ?
C28 C27 C26 117.5(3) . . ?
C28 C27 C30 121.6(3) . . ?
C19 C18 C15 121.8(3) . . ?
C19 C18 C23 117.9(3) . . ?
C23 C18 C15 120.3(3) . . ?
C15 C14 H14 119.3 . . ?
C13 C14 C15 121.5(3) . . ?
C13 C14 H14 119.3 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.8(3) . . ?
C32 C31 H31 119.6 . . ?
C24 C29 H29 119.7 . . ?
C28 C29 C24 120.7(3) . . ?
C28 C29 H29 119.7 . . ?
N11 C10 C24 119.7(3) . . ?
C9 C10 N11 108.2(3) . . ?
C9 C10 C24 132.0(3) . . ?
C18 C19 H19 119.5 . . ?
C20 C19 C18 121.1(3) . . ?
C20 C19 H19 119.5 . . ?
C27 C28 H28 119.4 . . ?
C29 C28 C27 121.2(3) . . ?
C29 C28 H28 119.4 . . ?
C17 C16 C15 121.6(3) . . ?
C17 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.6(3) . . ?
C14 C13 H13 119.7 . . ?
C30 C35 H35 119.6 . . ?
C34 C35 C30 120.7(3) . . ?
C34 C35 H35 119.6 . . ?
O8 C9 C12 116.6(3) . . ?
C10 C9 O8 107.3(3) . . ?
C10 C9 C12 136.0(3) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.2(4) . . ?
C33 C32 H32 119.9 . . ?
C35 C34 H34 120.2 . . ?
C35 C34 C33 119.7(4) . . ?
C33 C34 H34 120.2 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0(4) . . ?
C21 C20 H20 120.0 . . ?
N2 C3 H3 118.0 . . ?
N2 C3 C4 123.9(3) . . ?
C4 C3 H3 118.0 . . ?
C18 C23 H23 119.7 . . ?
C22 C23 C18 120.7(4) . . ?
C22 C23 H23 119.7 . . ?
C1 C6 H6 121.0 . . ?
C5 C6 C1 117.9(3) . . ?
C5 C6 H6 121.0 . . ?
C32 C33 C34 120.1(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C6 C5 H5 120.4 . . ?
C4 C5 C6 119.2(4) . . ?
C4 C5 H5 120.4 . . ?
C3 C4 C5 118.7(3) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C23 C22 H22 119.8 . . ?
C21 C22 C23 120.4(4) . . ?
C21 C22 H22 119.8 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 119.9(4) . . ?
C22 C21 H21 120.0 . . ?

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
O8 C7 C1 N2 23.5(5) . . . . ?
O8 C7 C1 C6 -156.3(3) . . . . ?
N11 C7 C1 N2 -158.9(3) . . . . ?
N11 C7 C1 C6 21.3(5) . . . . ?
N11 C10 C9 O8 -1.1(4) . . . . ?
N11 C10 C9 C12 175.2(4) . . . . ?
N2 C1 C6 C5 1.1(5) . . . . ?
N2 C3 C4 C5 0.5(6) . . . . ?
C26 C25 C24 C29 -0.5(5) . . . . ?
C26 C25 C24 C10 179.6(3) . . . . ?
C26 C27 C28 C29 -1.1(5) . . . . ?
C25 C26 C27 C30 -180.0(3) . . . . ?
C25 C26 C27 C28 1.5(5) . . . . ?
C25 C24 C29 C28 0.9(5) . . . . ?
C25 C24 C10 N11 151.4(3) . . . . ?
C25 C24 C10 C9 -26.4(6) . . . . ?
C30 C27 C28 C29 -179.7(3) . . . . ?
C30 C31 C32 C33 -1.3(5) . . . . ?
C30 C35 C34 C33 -0.8(5) . . . . ?
C7 O8 C9 C12 -176.2(3) . . . . ?
C7 O8 C9 C10 0.9(4) . . . . ?
C7 N11 C10 C24 -177.5(3) . . . . ?
C7 N11 C10 C9 0.8(4) . . . . ?
C7 C1 C6 C5 -179.1(3) . . . . ?
C12 C17 C16 C15 1.4(5) . . . . ?
C17 C12 C13 C14 -0.4(5) . . . . ?
C17 C12 C9 O8 146.4(3) . . . . ?
C17 C12 C9 C10 -29.6(6) . . . . ?
C24 C29 C28 C27 -0.1(5) . . . . ?
C24 C10 C9 O8 176.9(4) . . . . ?
C24 C10 C9 C12 -6.8(7) . . . . ?
C1 N2 C3 C4 -0.3(5) . . . . ?
C1 C6 C5 C4 -0.9(5) . . . . ?
C15 C18 C19 C20 176.1(3) . . . . ?
C15 C18 C23 C22 -175.4(3) . . . . ?
C15 C14 C13 C12 1.1(5) . . . . ?
C27 C26 C25 C24 -0.7(5) . . . . ?
C27 C30 C31 C32 -178.7(3) . . . . ?
C27 C30 C35 C34 179.8(3) . . . . ?
C18 C15 C14 C13 -176.6(3) . . . . ?
C18 C15 C16 C17 175.3(3) . . . . ?
C18 C19 C20 C21 0.2(5) . . . . ?
C18 C23 C22 C21 -1.6(6) . . . . ?
C14 C15 C18 C19 -30.9(5) . . . . ?
C14 C15 C18 C23 146.7(4) . . . . ?
C14 C15 C16 C17 -0.7(5) . . . . ?
C31 C30 C27 C26 -32.3(5) . . . . ?
C31 C30 C27 C28 146.2(3) . . . . ?
C31 C30 C35 C34 -0.4(5) . . . . ?
C31 C32 C33 C34 0.1(6) . . . . ?
C29 C24 C10 N11 -28.5(5) . . . . ?
C29 C24 C10 C9 153.7(4) . . . . ?
C10 N11 C7 O8 -0.2(4) . . . . ?
C10 N11 C7 C1 -177.8(3) . . . . ?
C10 C24 C29 C28 -179.2(3) . . . . ?
C19 C18 C23 C22 2.2(5) . . . . ?
C19 C20 C21 C22 0.4(6) . . . . ?
C16 C15 C18 C19 153.3(3) . . . . ?
C16 C15 C18 C23 -29.2(5) . . . . ?
C16 C15 C14 C13 -0.5(5) . . . . ?
C13 C12 C17 C16 -0.8(5) . . . . ?
C13 C12 C9 O8 -30.6(5) . . . . ?
C13 C12 C9 C10 153.4(4) . . . . ?
C35 C30 C27 C26 147.5(3) . . . . ?
C35 C30 C27 C28 -34.0(5) . . . . ?
C35 C30 C31 C32 1.5(5) . . . . ?
C35 C34 C33 C32 0.9(5) . . . . ?
C9 O8 C7 N11 -0.5(4) . . . . ?
C9 O8 C7 C1 177.3(3) . . . . ?
C9 C12 C17 C16 -177.9(3) . . . . ?
C9 C12 C13 C14 176.7(3) . . . . ?
C3 N2 C1 C7 179.7(3) . . . . ?
C3 N2 C1 C6 -0.5(5) . . . . ?
C23 C18 C19 C20 -1.5(5) . . . . ?
C23 C22 C21 C20 0.3(6) . . . . ?
C6 C5 C4 C3 0.1(6) . . . . ?

_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 1.992
_oxdiff_exptl_absorpt_empirical_full_min 0.706

