# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2327606'
loop_
_audit_author_name
_audit_author_address
'Jiaxin Lou'
;Yunnan University
China
;
_audit_update_record             
;
2024-01-23 deposited with the CCDC.	2024-06-13 downloaded from the CCDC.
;
_audit_creation_date             2022-07-19
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H27 N O2'
_chemical_formula_sum            'C34 H27 N O2'
_chemical_formula_weight         481.56
_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                   8.1013(7)
_cell_length_b                   10.7557(11)
_cell_length_c                   14.6429(15)
_cell_angle_alpha                92.302(5)
_cell_angle_beta                 93.992(4)
_cell_angle_gamma                92.948(4)
_cell_volume                     1269.9(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7701
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   0.988
_shelx_estimated_absorpt_T_min   0.980
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1786 before and 0.1031 after correction.
The Ratio of minimum to maximum transmission is 0.8809.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1002
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41014
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.371
_diffrn_reflns_theta_min         2.306
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_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                4303
_reflns_number_total             6344
_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 V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_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         0.245
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         6344
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0494
_refine_ls_restrained_S_all      1.041
_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)+(0.0531P)²+0.4459P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1366
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C13(H13), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C21(H21), C23(H23), C25(H25), C26(H26), C27(H27),
  C30(H30), C31(H31), C32(H32), C33(H33), C34(H34)
2.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.29780(13) 0.33703(12) 0.69144(8) 0.0278(3) Uani 1 1 d . . . . .
O2 O 0.66533(17) 0.40524(13) 0.97969(9) 0.0387(3) Uani 1 1 d . . . . .
N1 N 0.13580(15) 0.12360(12) 0.34134(9) 0.0181(3) Uani 1 1 d . . . . .
C1 C 0.01187(18) 0.17876(14) 0.28601(11) 0.0176(3) Uani 1 1 d . . . . .
C2 C 0.00622(19) 0.16692(15) 0.19048(11) 0.0207(3) Uani 1 1 d . . . . .
H2 H 0.0819 0.1163 0.1617 0.025 Uiso 1 1 calc R U . . .
C3 C -0.1093(2) 0.22868(16) 0.13726(11) 0.0235(4) Uani 1 1 d . . . . .
H3 H -0.1134 0.2193 0.0723 0.028 Uiso 1 1 calc R U . . .
C4 C -0.2187(2) 0.30400(16) 0.17882(12) 0.0253(4) Uani 1 1 d . . . . .
H4 H -0.2946 0.3494 0.1427 0.030 Uiso 1 1 calc R U . . .
C5 C -0.21644(19) 0.31253(15) 0.27373(11) 0.0221(3) Uani 1 1 d . . . . .
H5 H -0.2926 0.3634 0.3019 0.027 Uiso 1 1 calc R U . . .
C6 C -0.10519(18) 0.24840(14) 0.32883(11) 0.0180(3) Uani 1 1 d . . . . .
C7 C -0.11332(18) 0.24060(15) 0.43182(11) 0.0184(3) Uani 1 1 d . . . . .
C8 C -0.2153(2) 0.34113(16) 0.47294(12) 0.0241(4) Uani 1 1 d . . . . .
H8A H -0.1654 0.4235 0.4616 0.036 Uiso 1 1 calc R U . . .
H8B H -0.2174 0.3314 0.5391 0.036 Uiso 1 1 calc R U . . .
H8C H -0.3287 0.3331 0.4445 0.036 Uiso 1 1 calc R U . . .
C9 C -0.19604(19) 0.11156(15) 0.44968(12) 0.0222(3) Uani 1 1 d . . . . .
H9A H -0.3069 0.1033 0.4180 0.033 Uiso 1 1 calc R U . . .
H9B H -0.2049 0.1040 0.5157 0.033 Uiso 1 1 calc R U . . .
H9C H -0.1286 0.0457 0.4266 0.033 Uiso 1 1 calc R U . . .
C10 C 0.06339(18) 0.24328(14) 0.47507(10) 0.0169(3) Uani 1 1 d . . . . .
C11 C 0.18008(18) 0.17569(14) 0.43008(10) 0.0170(3) Uani 1 1 d . . . . .
C12 C 0.24976(18) 0.04844(15) 0.29614(11) 0.0185(3) Uani 1 1 d . . . . .
C13 C 0.39518(19) 0.10166(16) 0.26538(12) 0.0231(4) Uani 1 1 d . . . . .
H13 H 0.4221 0.1883 0.2757 0.028 Uiso 1 1 calc R U . . .
C14 C 0.5006(2) 0.02710(17) 0.21946(12) 0.0270(4) Uani 1 1 d . . . . .
H14 H 0.6005 0.0627 0.1991 0.032 Uiso 1 1 calc R U . . .
C15 C 0.4603(2) -0.09867(17) 0.20335(13) 0.0297(4) Uani 1 1 d . . . . .
H15 H 0.5322 -0.1491 0.1714 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3152(2) -0.15148(17) 0.23365(13) 0.0270(4) Uani 1 1 d . . . . .
H16 H 0.2877 -0.2379 0.2225 0.032 Uiso 1 1 calc R U . . .
C17 C 0.21039(19) -0.07751(16) 0.28039(11) 0.0224(3) Uani 1 1 d . . . . .
H17 H 0.1114 -0.1136 0.3016 0.027 Uiso 1 1 calc R U . . .
C18 C 0.33508(18) 0.15903(15) 0.47470(11) 0.0196(3) Uani 1 1 d . . . . .
H18 H 0.4123 0.1107 0.4451 0.024 Uiso 1 1 calc R U . . .
C19 C 0.37745(19) 0.21203(16) 0.56145(11) 0.0215(3) Uani 1 1 d . . . . .
H19 H 0.4817 0.1984 0.5922 0.026 Uiso 1 1 calc R U . . .
C20 C 0.26591(19) 0.28508(16) 0.60268(11) 0.0218(3) Uani 1 1 d . . . . .
C21 C 0.11083(19) 0.29966(15) 0.56054(11) 0.0204(3) Uani 1 1 d . . . . .
H21 H 0.0352 0.3491 0.5905 0.024 Uiso 1 1 calc R U . . .
C22 C 0.44283(18) 0.40753(15) 0.71373(11) 0.0201(3) Uani 1 1 d . . . . .
C23 C 0.48893(19) 0.42193(15) 0.80660(11) 0.0199(3) Uani 1 1 d . . . . .
H23 H 0.4244 0.3817 0.8497 0.024 Uiso 1 1 calc R U . . .
C24 C 0.62990(19) 0.49540(15) 0.83643(11) 0.0206(3) Uani 1 1 d . . . . .
C25 C 0.7252(2) 0.55366(16) 0.77336(12) 0.0249(4) Uani 1 1 d . . . . .
H25 H 0.8213 0.6043 0.7937 0.030 Uiso 1 1 calc R U . . .
C26 C 0.6785(2) 0.53718(16) 0.68036(12) 0.0246(4) Uani 1 1 d . . . . .
H26 H 0.7440 0.5760 0.6371 0.030 Uiso 1 1 calc R U . . .
C27 C 0.5372(2) 0.46456(15) 0.65009(11) 0.0218(3) Uani 1 1 d . . . . .
H27 H 0.5054 0.4540 0.5865 0.026 Uiso 1 1 calc R U . . .
C28 C 0.6819(2) 0.49932(17) 0.93682(11) 0.0250(4) Uani 1 1 d . . . . .
C29 C 0.7526(2) 0.61745(18) 0.98343(12) 0.0276(4) Uani 1 1 d . . . . .
C30 C 0.6974(2) 0.73224(18) 0.95797(13) 0.0313(4) Uani 1 1 d . . . . .
H30 H 0.6206 0.7368 0.9063 0.038 Uiso 1 1 calc R U . . .
C31 C 0.7545(3) 0.8400(2) 1.00802(15) 0.0408(5) Uani 1 1 d . . . . .
H31 H 0.7157 0.9185 0.9914 0.049 Uiso 1 1 calc R U . . .
C32 C 0.8692(3) 0.8324(2) 1.08282(15) 0.0476(6) Uani 1 1 d . . . . .
H32 H 0.9094 0.9061 1.1169 0.057 Uiso 1 1 calc R U . . .
C33 C 0.9247(2) 0.7186(2) 1.10764(14) 0.0439(5) Uani 1 1 d . . . . .
H33 H 1.0034 0.7143 1.1585 0.053 Uiso 1 1 calc R U . . .
C34 C 0.8667(2) 0.6115(2) 1.05916(13) 0.0352(5) Uani 1 1 d . . . . .
H34 H 0.9041 0.5332 1.0771 0.042 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 C20 1.396(2) . ?
O1 C22 1.3773(19) . ?
O2 C28 1.219(2) . ?
N1 C1 1.4153(19) . ?
N1 C11 1.410(2) . ?
N1 C12 1.436(2) . ?
C1 C2 1.397(2) . ?
C1 C6 1.404(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.388(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(2) . ?
C6 C7 1.520(2) . ?
C7 C8 1.524(2) . ?
C7 C9 1.550(2) . ?
C7 C10 1.523(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.405(2) . ?
C10 C21 1.389(2) . ?
C11 C18 1.398(2) . ?
C12 C13 1.394(2) . ?
C12 C17 1.382(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.390(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.382(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.387(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.385(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(2) . ?
C20 C21 1.380(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.385(2) . ?
C22 C27 1.388(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(2) . ?
C24 C25 1.392(2) . ?
C24 C28 1.499(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.388(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.486(2) . ?
C29 C30 1.391(3) . ?
C29 C34 1.399(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.387(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.394(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.380(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.372(3) . ?
C34 H34 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
C22 O1 C20 119.57(12) . . ?
C1 N1 C12 117.70(13) . . ?
C11 N1 C1 118.90(13) . . ?
C11 N1 C12 119.71(12) . . ?
C2 C1 N1 121.31(14) . . ?
C2 C1 C6 119.92(14) . . ?
C6 C1 N1 118.75(14) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.47(15) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.03(15) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.41(15) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.73(15) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C7 118.03(13) . . ?
C5 C6 C1 118.24(14) . . ?
C5 C6 C7 123.51(14) . . ?
C6 C7 C8 112.80(13) . . ?
C6 C7 C9 107.39(13) . . ?
C6 C7 C10 108.06(12) . . ?
C8 C7 C9 108.41(13) . . ?
C10 C7 C8 112.83(13) . . ?
C10 C7 C9 107.05(12) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C7 118.17(14) . . ?
C21 C10 C7 123.14(14) . . ?
C21 C10 C11 118.43(14) . . ?
C10 C11 N1 118.80(13) . . ?
C18 C11 N1 121.54(14) . . ?
C18 C11 C10 119.64(14) . . ?
C13 C12 N1 120.91(14) . . ?
C17 C12 N1 118.96(14) . . ?
C17 C12 C13 120.09(15) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.57(16) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.18(16) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.23(16) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.76(16) . . ?
C17 C16 H16 120.1 . . ?
C12 C17 C16 120.17(15) . . ?
C12 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C11 C18 H18 119.6 . . ?
C19 C18 C11 120.85(15) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 119.04(14) . . ?
C20 C19 H19 120.5 . . ?
C19 C20 O1 122.00(14) . . ?
C21 C20 O1 117.01(14) . . ?
C21 C20 C19 120.71(15) . . ?
C10 C21 H21 119.4 . . ?
C20 C21 C10 121.13(15) . . ?
C20 C21 H21 119.4 . . ?
O1 C22 C23 115.22(14) . . ?
O1 C22 C27 124.09(15) . . ?
C23 C22 C27 120.66(15) . . ?
C22 C23 H23 120.2 . . ?
C22 C23 C24 119.69(15) . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 120.23(15) . . ?
C23 C24 C28 117.46(14) . . ?
C25 C24 C28 122.08(15) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 C24 119.44(15) . . ?
C26 C25 H25 120.3 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.64(15) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 C26 119.33(15) . . ?
C22 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
O2 C28 C24 119.50(16) . . ?
O2 C28 C29 120.47(16) . . ?
C29 C28 C24 120.02(15) . . ?
C30 C29 C28 121.25(16) . . ?
C30 C29 C34 119.69(18) . . ?
C34 C29 C28 118.85(17) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 119.99(19) . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.2 . . ?
C30 C31 C32 119.5(2) . . ?
C32 C31 H31 120.2 . . ?
C31 C32 H32 119.8 . . ?
C33 C32 C31 120.4(2) . . ?
C33 C32 H32 119.8 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.3(2) . . ?
C34 C33 H33 119.9 . . ?
C29 C34 H34 119.9 . . ?
C33 C34 C29 120.1(2) . . ?
C33 C34 H34 119.9 . . ?

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 C20 C21 C10 -175.11(14) . . . . ?
O1 C22 C23 C24 -177.52(14) . . . . ?
O1 C22 C27 C26 177.78(15) . . . . ?
O2 C28 C29 C30 -144.95(18) . . . . ?
O2 C28 C29 C34 29.7(3) . . . . ?
N1 C1 C2 C3 -175.60(14) . . . . ?
N1 C1 C6 C5 173.73(14) . . . . ?
N1 C1 C6 C7 -11.5(2) . . . . ?
N1 C11 C18 C19 179.24(14) . . . . ?
N1 C12 C13 C14 -178.09(15) . . . . ?
N1 C12 C17 C16 177.48(15) . . . . ?
C1 N1 C11 C10 25.5(2) . . . . ?
C1 N1 C11 C18 -156.02(14) . . . . ?
C1 N1 C12 C13 88.06(18) . . . . ?
C1 N1 C12 C17 -89.60(17) . . . . ?
C1 C2 C3 C4 0.8(2) . . . . ?
C1 C6 C7 C8 166.91(14) . . . . ?
C1 C6 C7 C9 -73.71(16) . . . . ?
C1 C6 C7 C10 41.47(18) . . . . ?
C2 C1 C6 C5 -5.1(2) . . . . ?
C2 C1 C6 C7 169.66(14) . . . . ?
C2 C3 C4 C5 -2.9(2) . . . . ?
C3 C4 C5 C6 0.8(3) . . . . ?
C4 C5 C6 C1 3.1(2) . . . . ?
C4 C5 C6 C7 -171.34(15) . . . . ?
C5 C6 C7 C8 -18.6(2) . . . . ?
C5 C6 C7 C9 100.77(17) . . . . ?
C5 C6 C7 C10 -144.05(15) . . . . ?
C6 C1 C2 C3 3.2(2) . . . . ?
C6 C7 C10 C11 -40.24(18) . . . . ?
C6 C7 C10 C21 145.81(15) . . . . ?
C7 C10 C11 N1 9.0(2) . . . . ?
C7 C10 C11 C18 -169.49(13) . . . . ?
C7 C10 C21 C20 170.84(14) . . . . ?
C8 C7 C10 C11 -165.67(13) . . . . ?
C8 C7 C10 C21 20.4(2) . . . . ?
C9 C7 C10 C11 75.16(16) . . . . ?
C9 C7 C10 C21 -98.80(17) . . . . ?
C10 C11 C18 C19 -2.3(2) . . . . ?
C11 N1 C1 C2 154.56(14) . . . . ?
C11 N1 C1 C6 -24.3(2) . . . . ?
C11 N1 C12 C13 -70.08(19) . . . . ?
C11 N1 C12 C17 112.26(16) . . . . ?
C11 C10 C21 C20 -3.1(2) . . . . ?
C11 C18 C19 C20 -1.9(2) . . . . ?
C12 N1 C1 C2 -3.8(2) . . . . ?
C12 N1 C1 C6 177.40(13) . . . . ?
C12 N1 C11 C10 -176.59(13) . . . . ?
C12 N1 C11 C18 1.9(2) . . . . ?
C12 C13 C14 C15 0.9(3) . . . . ?
C13 C12 C17 C16 -0.2(2) . . . . ?
C13 C14 C15 C16 -0.6(3) . . . . ?
C14 C15 C16 C17 -0.1(3) . . . . ?
C15 C16 C17 C12 0.5(3) . . . . ?
C17 C12 C13 C14 -0.5(2) . . . . ?
C18 C19 C20 O1 177.30(14) . . . . ?
C18 C19 C20 C21 3.6(2) . . . . ?
C19 C20 C21 C10 -1.1(2) . . . . ?
C20 O1 C22 C23 -160.50(14) . . . . ?
C20 O1 C22 C27 21.3(2) . . . . ?
C21 C10 C11 N1 -176.77(13) . . . . ?
C21 C10 C11 C18 4.8(2) . . . . ?
C22 O1 C20 C19 53.4(2) . . . . ?
C22 O1 C20 C21 -132.64(16) . . . . ?
C22 C23 C24 C25 -0.4(2) . . . . ?
C22 C23 C24 C28 -175.07(15) . . . . ?
C23 C22 C27 C26 -0.4(2) . . . . ?
C23 C24 C25 C26 -0.3(2) . . . . ?
C23 C24 C28 O2 36.8(2) . . . . ?
C23 C24 C28 C29 -142.96(16) . . . . ?
C24 C25 C26 C27 0.7(3) . . . . ?
C24 C28 C29 C30 34.8(2) . . . . ?
C24 C28 C29 C34 -150.56(16) . . . . ?
C25 C24 C28 O2 -137.72(18) . . . . ?
C25 C24 C28 C29 42.5(2) . . . . ?
C25 C26 C27 C22 -0.4(3) . . . . ?
C27 C22 C23 C24 0.8(2) . . . . ?
C28 C24 C25 C26 174.05(16) . . . . ?
C28 C29 C30 C31 174.10(16) . . . . ?
C28 C29 C34 C33 -175.20(16) . . . . ?
C29 C30 C31 C32 1.0(3) . . . . ?
C30 C29 C34 C33 -0.5(3) . . . . ?
C30 C31 C32 C33 -0.6(3) . . . . ?
C31 C32 C33 C34 -0.4(3) . . . . ?
C32 C33 C34 C29 0.9(3) . . . . ?
C34 C29 C30 C31 -0.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2327607'
loop_
_audit_author_name
_audit_author_address
'Jiaxin Lou'
;Yunnan University
China
;
_audit_update_record             
;
2024-01-23 deposited with the CCDC.	2024-06-13 downloaded from the CCDC.
;
_audit_creation_date             2022-07-13
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H27 N O2'
_chemical_formula_sum            'C34 H27 N O2'
_chemical_formula_weight         481.56
_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/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                   10.7009(7)
_cell_length_b                   20.1981(15)
_cell_length_c                   11.7864(9)
_cell_angle_alpha                90
_cell_angle_beta                 94.071(3)
_cell_angle_gamma                90
_cell_volume                     2541.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.2387
_cell_measurement_theta_min      2.6588
_shelx_estimated_absorpt_T_max   0.979
_shelx_estimated_absorpt_T_min   0.970
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1278 before and 0.0668 after correction.
The Ratio of minimum to maximum transmission is 0.9248.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.28
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0321
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            42199
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.377
_diffrn_reflns_theta_min         2.004
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4586
_reflns_number_total             6343
_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 V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_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         0.220
_refine_diff_density_min         -0.220
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         6343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0437
_refine_ls_restrained_S_all      1.034
_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)+(0.0498P)²+0.9656P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1267
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C32(H32), C33(H33), C34(H34), C16(H16), C15(H15), C10(H10), C9(H9), C2(H2),
 C3(H3), C4(H4), C19(H19), C6(H6), C5(H5), C13(H13), C12(H12), C25(H25),
 C26(H26), C27(H27), C28(H28), C30(H30), C31(H31)
2.b Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.52312(9) 0.61162(5) 0.47195(9) 0.0341(2) Uani 1 1 d . . . . .
O1 O 0.19023(10) 0.78141(6) 0.78454(11) 0.0488(3) Uani 1 1 d . . . . .
N1 N 0.25102(11) 0.49591(6) 0.10296(10) 0.0299(3) Uani 1 1 d . . . . .
C32 C 0.03192(18) 0.32831(9) 0.16216(15) 0.0498(4) Uani 1 1 d . . . . .
H32 H -0.0182 0.2906 0.1751 0.060 Uiso 1 1 calc R U . . .
C33 C -0.02187(15) 0.39061(9) 0.15622(15) 0.0467(4) Uani 1 1 d . . . . .
H33 H -0.1087 0.3957 0.1662 0.056 Uiso 1 1 calc R U . . .
C34 C 0.05038(13) 0.44558(8) 0.13585(13) 0.0373(3) Uani 1 1 d . . . . .
H34 H 0.0133 0.4883 0.1311 0.045 Uiso 1 1 calc R U . . .
C29 C 0.17726(13) 0.43798(7) 0.12231(12) 0.0297(3) Uani 1 1 d . . . . .
C17 C 0.31757(12) 0.52541(7) 0.19684(12) 0.0278(3) Uani 1 1 d . . . . .
C16 C 0.31923(13) 0.49643(7) 0.30464(12) 0.0296(3) Uani 1 1 d . . . . .
H16 H 0.2753 0.4562 0.3144 0.035 Uiso 1 1 calc R U . . .
C15 C 0.38415(13) 0.52566(7) 0.39739(12) 0.0309(3) Uani 1 1 d . . . . .
H15 H 0.3833 0.5065 0.4709 0.037 Uiso 1 1 calc R U . . .
C14 C 0.45013(13) 0.58318(7) 0.38090(12) 0.0310(3) Uani 1 1 d . . . . .
C11 C 0.46526(13) 0.65465(7) 0.54097(12) 0.0293(3) Uani 1 1 d . . . . .
C10 C 0.33809(14) 0.67035(7) 0.52778(13) 0.0341(3) Uani 1 1 d . . . . .
H10 H 0.2863 0.6517 0.4672 0.041 Uiso 1 1 calc R U . . .
C9 C 0.28848(14) 0.71320(8) 0.60363(14) 0.0357(3) Uani 1 1 d . . . . .
H9 H 0.2015 0.7231 0.5958 0.043 Uiso 1 1 calc R U . . .
C8 C 0.36334(13) 0.74230(7) 0.69168(13) 0.0310(3) Uani 1 1 d . . . . .
C7 C 0.30312(13) 0.78504(7) 0.77428(13) 0.0333(3) Uani 1 1 d . . . . .
C1 C 0.38105(13) 0.83127(7) 0.84875(13) 0.0324(3) Uani 1 1 d . . . . .
C2 C 0.48071(15) 0.86661(8) 0.80939(16) 0.0412(4) Uani 1 1 d . . . . .
H2 H 0.5018 0.8617 0.7329 0.049 Uiso 1 1 calc R U . . .
C3 C 0.54943(17) 0.90925(9) 0.8827(2) 0.0545(5) Uani 1 1 d . . . . .
H3 H 0.6163 0.9343 0.8558 0.065 Uiso 1 1 calc R U . . .
C4 C 0.52048(19) 0.91509(10) 0.9942(2) 0.0600(6) Uani 1 1 d . . . . .
H4 H 0.5697 0.9429 1.0447 0.072 Uiso 1 1 calc R U . . .
C18 C 0.38239(12) 0.58493(7) 0.18176(12) 0.0285(3) Uani 1 1 d . . . . .
C19 C 0.45017(13) 0.61262(7) 0.27533(13) 0.0311(3) Uani 1 1 d . . . . .
H19 H 0.4968 0.6521 0.2663 0.037 Uiso 1 1 calc R U . . .
C6 C 0.34986(16) 0.83989(8) 0.96031(15) 0.0420(4) Uani 1 1 d . . . . .
H6 H 0.2795 0.8174 0.9865 0.050 Uiso 1 1 calc R U . . .
C5 C 0.4204(2) 0.88086(10) 1.03302(17) 0.0555(5) Uani 1 1 d . . . . .
H5 H 0.4002 0.8855 1.1098 0.067 Uiso 1 1 calc R U . . .
C13 C 0.49099(13) 0.72582(7) 0.70312(12) 0.0308(3) Uani 1 1 d . . . . .
H13 H 0.5434 0.7451 0.7626 0.037 Uiso 1 1 calc R U . . .
C12 C 0.54146(13) 0.68198(7) 0.62926(12) 0.0304(3) Uani 1 1 d . . . . .
H12 H 0.6277 0.6705 0.6386 0.036 Uiso 1 1 calc R U . . .
C20 C 0.36646(13) 0.62040(7) 0.06782(12) 0.0301(3) Uani 1 1 d . . . . .
C22 C 0.47515(15) 0.66798(8) 0.05131(14) 0.0393(4) Uani 1 1 d . . . . .
H22A H 0.4790 0.7014 0.1117 0.059 Uiso 1 1 calc R U . . .
H22B H 0.4620 0.6898 -0.0228 0.059 Uiso 1 1 calc R U . . .
H22C H 0.5540 0.6431 0.0545 0.059 Uiso 1 1 calc R U . . .
C23 C 0.35002(13) 0.56911(7) -0.02689(12) 0.0293(3) Uani 1 1 d . . . . .
C24 C 0.28482(12) 0.51005(7) -0.00784(12) 0.0291(3) Uani 1 1 d . . . . .
C25 C 0.25299(14) 0.46680(7) -0.09796(13) 0.0339(3) Uani 1 1 d . . . . .
H25 H 0.2070 0.4276 -0.0849 0.041 Uiso 1 1 calc R U . . .
C26 C 0.28821(15) 0.48084(8) -0.20636(13) 0.0383(3) Uani 1 1 d . . . . .
H26 H 0.2654 0.4516 -0.2675 0.046 Uiso 1 1 calc R U . . .
C27 C 0.35653(15) 0.53731(8) -0.22539(14) 0.0390(3) Uani 1 1 d . . . . .
H27 H 0.3830 0.5465 -0.2990 0.047 Uiso 1 1 calc R U . . .
C28 C 0.38616(14) 0.58048(8) -0.13611(13) 0.0351(3) Uani 1 1 d . . . . .
H28 H 0.4329 0.6193 -0.1501 0.042 Uiso 1 1 calc R U . . .
C21 C 0.24372(15) 0.66121(8) 0.06740(14) 0.0383(3) Uani 1 1 d . . . . .
H21A H 0.1730 0.6314 0.0767 0.057 Uiso 1 1 calc R U . . .
H21B H 0.2305 0.6850 -0.0050 0.057 Uiso 1 1 calc R U . . .
H21C H 0.2501 0.6931 0.1302 0.057 Uiso 1 1 calc R U . . .
C30 C 0.23191(15) 0.37577(7) 0.12948(13) 0.0362(3) Uani 1 1 d . . . . .
H30 H 0.3190 0.3708 0.1209 0.043 Uiso 1 1 calc R U . . .
C31 C 0.15918(17) 0.32094(8) 0.14919(15) 0.0444(4) Uani 1 1 d . . . . .
H31 H 0.1963 0.2782 0.1539 0.053 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 C14 1.4046(17) . ?
O2 C11 1.3681(17) . ?
O1 C7 1.2248(17) . ?
N1 C29 1.4386(17) . ?
N1 C17 1.4052(18) . ?
N1 C24 1.4089(18) . ?
C32 H32 0.9500 . ?
C32 C33 1.383(3) . ?
C32 C31 1.389(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.384(2) . ?
C34 H34 0.9500 . ?
C34 C29 1.387(2) . ?
C29 C30 1.386(2) . ?
C17 C16 1.3978(19) . ?
C17 C18 1.4056(19) . ?
C16 H16 0.9500 . ?
C16 C15 1.385(2) . ?
C15 H15 0.9500 . ?
C15 C14 1.380(2) . ?
C14 C19 1.379(2) . ?
C11 C10 1.395(2) . ?
C11 C12 1.390(2) . ?
C10 H10 0.9500 . ?
C10 C9 1.377(2) . ?
C9 H9 0.9500 . ?
C9 C8 1.395(2) . ?
C8 C7 1.482(2) . ?
C8 C13 1.4032(19) . ?
C7 C1 1.495(2) . ?
C1 C2 1.390(2) . ?
C1 C6 1.390(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(3) . ?
C18 C19 1.393(2) . ?
C18 C20 1.5210(19) . ?
C19 H19 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.378(3) . ?
C5 H5 0.9500 . ?
C13 H13 0.9500 . ?
C13 C12 1.379(2) . ?
C12 H12 0.9500 . ?
C20 C22 1.532(2) . ?
C20 C23 1.524(2) . ?
C20 C21 1.550(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.4080(19) . ?
C23 C28 1.389(2) . ?
C24 C25 1.399(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.387(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.382(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.386(2) . ?
C28 H28 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C30 H30 0.9500 . ?
C30 C31 1.383(2) . ?
C31 H31 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
C11 O2 C14 117.61(11) . . ?
C17 N1 C29 118.23(11) . . ?
C17 N1 C24 119.66(11) . . ?
C24 N1 C29 119.45(11) . . ?
C33 C32 H32 120.0 . . ?
C33 C32 C31 119.97(15) . . ?
C31 C32 H32 120.0 . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.20(16) . . ?
C34 C33 H33 119.9 . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C29 119.66(15) . . ?
C29 C34 H34 120.2 . . ?
C34 C29 N1 118.74(13) . . ?
C30 C29 N1 120.88(13) . . ?
C30 C29 C34 120.37(14) . . ?
N1 C17 C18 119.35(12) . . ?
C16 C17 N1 120.75(12) . . ?
C16 C17 C18 119.90(13) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 C17 120.81(13) . . ?
C15 C16 H16 119.6 . . ?
C16 C15 H15 120.6 . . ?
C14 C15 C16 118.72(13) . . ?
C14 C15 H15 120.6 . . ?
C15 C14 O2 119.93(13) . . ?
C19 C14 O2 118.50(13) . . ?
C19 C14 C15 121.52(13) . . ?
O2 C11 C10 123.86(13) . . ?
O2 C11 C12 115.55(12) . . ?
C12 C11 C10 120.59(13) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 C11 119.23(13) . . ?
C9 C10 H10 120.4 . . ?
C10 C9 H9 119.3 . . ?
C10 C9 C8 121.34(13) . . ?
C8 C9 H9 119.3 . . ?
C9 C8 C7 118.72(13) . . ?
C9 C8 C13 118.37(13) . . ?
C13 C8 C7 122.73(13) . . ?
O1 C7 C8 120.52(14) . . ?
O1 C7 C1 119.51(14) . . ?
C8 C7 C1 119.94(12) . . ?
C2 C1 C7 122.28(14) . . ?
C2 C1 C6 119.52(15) . . ?
C6 C1 C7 118.18(14) . . ?
C1 C2 H2 120.2 . . ?
C1 C2 C3 119.63(17) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.05(18) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.43(17) . . ?
C5 C4 H4 119.8 . . ?
C17 C18 C20 119.29(12) . . ?
C19 C18 C17 118.50(13) . . ?
C19 C18 C20 121.95(12) . . ?
C14 C19 C18 120.50(13) . . ?
C14 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.38(17) . . ?
C5 C6 H6 119.8 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 119.91(19) . . ?
C6 C5 H5 120.0 . . ?
C8 C13 H13 119.5 . . ?
C12 C13 C8 120.94(13) . . ?
C12 C13 H13 119.5 . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.51(13) . . ?
C13 C12 H12 120.2 . . ?
C18 C20 C22 111.67(12) . . ?
C18 C20 C23 109.06(11) . . ?
C18 C20 C21 107.16(12) . . ?
C22 C20 C21 108.46(12) . . ?
C23 C20 C22 112.50(12) . . ?
C23 C20 C21 107.78(12) . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C20 119.46(12) . . ?
C28 C23 C20 122.76(13) . . ?
C28 C23 C24 117.48(13) . . ?
C23 C24 N1 118.83(12) . . ?
C25 C24 N1 120.84(13) . . ?
C25 C24 C23 120.32(13) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.29(14) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 C25 120.00(15) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.3 . . ?
C26 C27 C28 119.42(14) . . ?
C28 C27 H27 120.3 . . ?
C23 C28 H28 118.8 . . ?
C27 C28 C23 122.40(14) . . ?
C27 C28 H28 118.8 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.76(15) . . ?
C31 C30 H30 120.1 . . ?
C32 C31 H31 120.0 . . ?
C30 C31 C32 120.03(16) . . ?
C30 C31 H31 120.0 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C15 H15 O2 0.95 2.66 3.2906(18) 124.7 3_666
C19 H19 O1 0.95 2.46 3.3395(18) 153.1 4_675

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 C14 C19 C18 177.92(12) . . . . ?
O2 C11 C10 C9 178.53(14) . . . . ?
O2 C11 C12 C13 -179.93(13) . . . . ?
O1 C7 C1 C2 -142.80(16) . . . . ?
O1 C7 C1 C6 35.7(2) . . . . ?
N1 C29 C30 C31 179.40(14) . . . . ?
N1 C17 C16 C15 -179.60(13) . . . . ?
N1 C17 C18 C19 -178.56(12) . . . . ?
N1 C17 C18 C20 7.29(19) . . . . ?
N1 C24 C25 C26 -179.16(13) . . . . ?
C32 C33 C34 C29 -0.5(3) . . . . ?
C33 C32 C31 C30 -0.5(3) . . . . ?
C33 C34 C29 N1 -179.04(14) . . . . ?
C33 C34 C29 C30 -0.2(2) . . . . ?
C34 C29 C30 C31 0.6(2) . . . . ?
C29 N1 C17 C16 4.55(19) . . . . ?
C29 N1 C17 C18 -175.06(12) . . . . ?
C29 N1 C24 C23 175.93(12) . . . . ?
C29 N1 C24 C25 -3.23(19) . . . . ?
C29 C30 C31 C32 -0.2(2) . . . . ?
C17 N1 C29 C34 95.99(16) . . . . ?
C17 N1 C29 C30 -82.83(17) . . . . ?
C17 N1 C24 C23 -22.86(19) . . . . ?
C17 N1 C24 C25 157.98(13) . . . . ?
C17 C16 C15 C14 -1.7(2) . . . . ?
C17 C18 C19 C14 -2.0(2) . . . . ?
C17 C18 C20 C22 -159.27(13) . . . . ?
C17 C18 C20 C23 -34.32(17) . . . . ?
C17 C18 C20 C21 82.09(15) . . . . ?
C16 C17 C18 C19 1.8(2) . . . . ?
C16 C17 C18 C20 -172.33(12) . . . . ?
C16 C15 C14 O2 -176.02(12) . . . . ?
C16 C15 C14 C19 1.5(2) . . . . ?
C15 C14 C19 C18 0.3(2) . . . . ?
C14 O2 C11 C10 1.7(2) . . . . ?
C14 O2 C11 C12 -179.45(12) . . . . ?
C11 O2 C14 C15 -87.17(16) . . . . ?
C11 O2 C14 C19 95.19(16) . . . . ?
C11 C10 C9 C8 1.5(2) . . . . ?
C10 C11 C12 C13 -1.1(2) . . . . ?
C10 C9 C8 C7 -176.65(14) . . . . ?
C10 C9 C8 C13 -1.4(2) . . . . ?
C9 C8 C7 O1 19.1(2) . . . . ?
C9 C8 C7 C1 -163.13(14) . . . . ?
C9 C8 C13 C12 0.0(2) . . . . ?
C8 C7 C1 C2 39.4(2) . . . . ?
C8 C7 C1 C6 -142.15(15) . . . . ?
C8 C13 C12 C11 1.2(2) . . . . ?
C7 C8 C13 C12 175.10(13) . . . . ?
C7 C1 C2 C3 179.63(15) . . . . ?
C7 C1 C6 C5 178.59(15) . . . . ?
C1 C2 C3 C4 1.5(3) . . . . ?
C1 C6 C5 C4 1.9(3) . . . . ?
C2 C1 C6 C5 -2.9(2) . . . . ?
C2 C3 C4 C5 -2.5(3) . . . . ?
C3 C4 C5 C6 0.8(3) . . . . ?
C18 C17 C16 C15 0.0(2) . . . . ?
C18 C20 C23 C24 34.93(17) . . . . ?
C18 C20 C23 C28 -151.45(13) . . . . ?
C19 C18 C20 C22 26.79(19) . . . . ?
C19 C18 C20 C23 151.74(13) . . . . ?
C19 C18 C20 C21 -91.85(16) . . . . ?
C6 C1 C2 C3 1.2(2) . . . . ?
C13 C8 C7 O1 -156.01(15) . . . . ?
C13 C8 C7 C1 21.8(2) . . . . ?
C12 C11 C10 C9 -0.2(2) . . . . ?
C20 C18 C19 C14 172.00(13) . . . . ?
C20 C23 C24 N1 -8.40(19) . . . . ?
C20 C23 C24 C25 170.77(13) . . . . ?
C20 C23 C28 C27 -171.49(14) . . . . ?
C22 C20 C23 C24 159.39(13) . . . . ?
C22 C20 C23 C28 -26.99(19) . . . . ?
C23 C24 C25 C26 1.7(2) . . . . ?
C24 N1 C29 C34 -102.53(16) . . . . ?
C24 N1 C29 C30 78.65(17) . . . . ?
C24 N1 C17 C16 -156.89(13) . . . . ?
C24 N1 C17 C18 23.50(19) . . . . ?
C24 C23 C28 C27 2.3(2) . . . . ?
C24 C25 C26 C27 0.9(2) . . . . ?
C25 C26 C27 C28 -1.9(2) . . . . ?
C26 C27 C28 C23 0.2(2) . . . . ?
C28 C23 C24 N1 177.64(12) . . . . ?
C28 C23 C24 C25 -3.2(2) . . . . ?
C21 C20 C23 C24 -81.09(15) . . . . ?
C21 C20 C23 C28 92.54(16) . . . . ?
C31 C32 C33 C34 0.9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
