# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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 
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data_241025lu_lgpz214150_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2lstlt
_database_code_depnum_ccdc_archive 'CCDC 2407137'
loop_
_audit_author_name
_audit_author_address
'Zoutao Wang'
;University of Chinese Academy of Sciences
China
;
_audit_update_record             
;
2024-12-03 deposited with the CCDC.	2025-11-25 downloaded from the CCDC.
;
_audit_creation_date             2024-10-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H34 N O'
_chemical_formula_sum            'C34 H34 N O'
_chemical_formula_weight         472.62
_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                   9.2433(5)
_cell_length_b                   11.6116(7)
_cell_length_c                   13.7296(8)
_cell_angle_alpha                72.825(2)
_cell_angle_beta                 80.564(2)
_cell_angle_gamma                69.791(2)
_cell_volume                     1318.05(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2934
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      24.54
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   0.994
_shelx_estimated_absorpt_T_min   0.992
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0662 before and 0.0480 after correction.
The Ratio of minimum to maximum transmission is 0.8855.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.191
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             506
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0453
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12578
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.465
_diffrn_reflns_theta_min         1.934
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   TXS
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_type              'Rotaing Anode'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3317
_reflns_number_total             5985
_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 (Bruker, 2019)'
_computing_data_collection       'APEX5 V2023.9-4 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.197
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.039
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         5985
_refine_ls_number_restraints     181
_refine_ls_R_factor_all          0.1303
_refine_ls_R_factor_gt           0.0653
_refine_ls_restrained_S_all      1.019
_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)+(0.0622P)²+0.4220P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1440
_refine_ls_wR_factor_ref         0.1777
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2. Restrained distances
 C15A-C14 \\sim C15-C14
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C15 \\sim C15A \\sim C16 \\sim C16A \\sim C17 \\sim C17A \\sim C18 \\sim C18A
\\sim C19 \\sim C19A \\sim C20 \\sim C20A: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
4. Others
 Sof(H14A)=Sof(C15A)=Sof(C16A)=Sof(H16A)=Sof(C17A)=Sof(H17A)=Sof(C18A)=
 Sof(H18A)=Sof(C19A)=Sof(H19A)=Sof(C20A)=Sof(H20A)=1-FVAR(1)
 Sof(H14)=Sof(C15)=Sof(C16)=Sof(H16)=Sof(C17)=Sof(H17)=Sof(C18)=Sof(H18)=
 Sof(C19)=Sof(H19)=Sof(C20)=Sof(H20)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C14(H14), C14(H14A), C21(H21), C22(H22)
5.b Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B), C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B)
5.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C1(H1A), C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11),
 C12(H12), C13(H13), C16(H16), C16A(H16A), C17(H17), C17A(H17A), C18(H18),
 C18A(H18A), C19(H19), C19A(H19A), C20(H20), C20A(H20A), C30(H30), C31(H31),
 C32(H32), C33(H33), C34(H34)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 1.0482(2) 0.22010(18) 0.12827(13) 0.0622(5) Uani 1 1 d . . . . .
N1 N 0.5046(2) 0.31135(17) 0.31543(14) 0.0410(5) Uani 1 1 d . . . . .
H1 H 0.555447 0.247033 0.362949 0.049 Uiso 1 1 calc R U . . .
C1 C 0.3492(3) 0.1777(2) 0.48085(19) 0.0540(7) Uani 1 1 d . . . . .
H1A H 0.456726 0.138519 0.468246 0.065 Uiso 1 1 calc R U . . .
C2 C 0.2701(4) 0.1224(3) 0.5661(2) 0.0690(9) Uani 1 1 d . . . . .
H2 H 0.324160 0.045930 0.612100 0.083 Uiso 1 1 calc R U . . .
C3 C 0.1141(4) 0.1770(3) 0.5847(2) 0.0721(9) Uani 1 1 d . . . . .
H3 H 0.060514 0.138602 0.643362 0.086 Uiso 1 1 calc R U . . .
C4 C 0.0362(3) 0.2876(3) 0.5178(2) 0.0687(8) Uani 1 1 d . . . . .
H4 H -0.071822 0.325010 0.530132 0.082 Uiso 1 1 calc R U . . .
C5 C 0.1135(3) 0.3446(3) 0.43281(19) 0.0552(7) Uani 1 1 d . . . . .
H5 H 0.058600 0.421059 0.387179 0.066 Uiso 1 1 calc R U . . .
C6 C 0.2721(3) 0.2902(2) 0.41384(18) 0.0440(6) Uani 1 1 d . . . . .
C7 C 0.3576(3) 0.3528(2) 0.32401(16) 0.0378(5) Uani 1 1 d . . . . .
C8 C 0.2637(2) 0.4645(2) 0.24808(17) 0.0402(5) Uani 1 1 d . . . . .
C9 C 0.1913(3) 0.4479(3) 0.1749(2) 0.0571(7) Uani 1 1 d . . . . .
H9 H 0.197966 0.364786 0.173815 0.069 Uiso 1 1 calc R U . . .
C10 C 0.1085(3) 0.5530(4) 0.1029(2) 0.0747(10) Uani 1 1 d . . . . .
H10 H 0.061109 0.541429 0.051619 0.090 Uiso 1 1 calc R U . . .
C11 C 0.0958(3) 0.6720(4) 0.1060(3) 0.0799(11) Uani 1 1 d . . . . .
H11 H 0.038878 0.743382 0.056895 0.096 Uiso 1 1 calc R U . . .
C12 C 0.1637(3) 0.6902(3) 0.1787(3) 0.0721(9) Uani 1 1 d . . . . .
H12 H 0.152673 0.773916 0.180620 0.087 Uiso 1 1 calc R U . . .
C13 C 0.2489(3) 0.5866(2) 0.2501(2) 0.0522(7) Uani 1 1 d . . . . .
H13 H 0.297123 0.599471 0.300210 0.063 Uiso 1 1 calc R U . . .
C14 C 0.5889(2) 0.3710(2) 0.22633(17) 0.0382(5) Uani 1 1 d D . . . .
H14 H 0.516612 0.410950 0.170133 0.046 Uiso 0.652(8) 1 calc R U P A 1
H14A H 0.517960 0.419377 0.169924 0.046 Uiso 0.348(8) 1 calc R U P A 2
C15 C 0.6425(14) 0.4744(9) 0.2387(6) 0.0396(17) Uani 0.652(8) 1 d D U P A 1
C15A C 0.635(3) 0.4636(18) 0.2647(13) 0.043(3) Uani 0.348(8) 1 d D U P A 2
C16 C 0.6645(8) 0.4831(6) 0.3336(6) 0.0490(15) Uani 0.652(8) 1 d . U P A 1
H16 H 0.642029 0.423472 0.393213 0.059 Uiso 0.652(8) 1 calc R U P A 1
C16A C 0.6388(15) 0.4563(12) 0.3665(10) 0.045(2) Uani 0.348(8) 1 d . U P A 2
H16A H 0.604168 0.393965 0.417387 0.054 Uiso 0.348(8) 1 calc R U P A 2
C17 C 0.7182(6) 0.5761(6) 0.3438(5) 0.0533(15) Uani 0.652(8) 1 d . U P A 1
H17 H 0.731242 0.581071 0.409513 0.064 Uiso 0.652(8) 1 calc R U P A 1
C17A C 0.6921(12) 0.5389(10) 0.3959(10) 0.058(2) Uani 0.348(8) 1 d . U P A 2
H17A H 0.693260 0.534609 0.465932 0.070 Uiso 0.348(8) 1 calc R U P A 2
C18 C 0.7521(6) 0.6607(6) 0.2573(6) 0.0565(16) Uani 0.652(8) 1 d . U P A 1
H18 H 0.793052 0.722848 0.263102 0.068 Uiso 0.652(8) 1 calc R U P A 1
C18A C 0.7438(12) 0.6285(12) 0.3185(13) 0.056(2) Uani 0.348(8) 1 d . U P A 2
H18A H 0.783361 0.683783 0.337240 0.067 Uiso 0.348(8) 1 calc R U P A 2
C19 C 0.7271(6) 0.6572(5) 0.1601(6) 0.0538(14) Uani 0.652(8) 1 d . U P A 1
H19 H 0.747500 0.718209 0.100692 0.065 Uiso 0.652(8) 1 calc R U P A 1
C19A C 0.7393(13) 0.6395(12) 0.2158(11) 0.053(2) Uani 0.348(8) 1 d . U P A 2
H19A H 0.770503 0.703406 0.164448 0.064 Uiso 0.348(8) 1 calc R U P A 2
C20 C 0.6727(8) 0.5638(7) 0.1521(5) 0.0435(13) Uani 0.652(8) 1 d . U P A 1
H20 H 0.655606 0.560702 0.086686 0.052 Uiso 0.652(8) 1 calc R U P A 1
C20A C 0.6883(16) 0.5551(15) 0.1909(10) 0.051(2) Uani 0.348(8) 1 d . U P A 2
H20A H 0.688734 0.558819 0.120810 0.061 Uiso 0.348(8) 1 calc R U P A 2
C21 C 0.7275(2) 0.2689(2) 0.18964(17) 0.0382(5) Uani 1 1 d . . . . .
H21 H 0.774339 0.313642 0.125106 0.046 Uiso 1 1 calc R U . . .
C22 C 0.6728(3) 0.1728(2) 0.16238(17) 0.0423(6) Uani 1 1 d . . . . .
H22 H 0.616080 0.133682 0.224672 0.051 Uiso 1 1 calc R U . . .
C23 C 0.7979(3) 0.0647(2) 0.1260(2) 0.0540(7) Uani 1 1 d . . . . .
H23A H 0.872326 0.097316 0.074497 0.065 Uiso 1 1 calc R U . . .
H23B H 0.854660 0.000551 0.183995 0.065 Uiso 1 1 calc R U . . .
C24 C 0.7089(4) 0.0090(3) 0.0798(3) 0.0765(9) Uani 1 1 d . . . . .
H24A H 0.666746 -0.051804 0.133376 0.092 Uiso 1 1 calc R U . . .
H24B H 0.776006 -0.035615 0.029398 0.092 Uiso 1 1 calc R U . . .
C25 C 0.5791(4) 0.1222(3) 0.0280(3) 0.0759(9) Uani 1 1 d . . . . .
H25A H 0.481381 0.101340 0.039874 0.091 Uiso 1 1 calc R U . . .
H25B H 0.604576 0.146987 -0.046532 0.091 Uiso 1 1 calc R U . . .
C26 C 0.5633(3) 0.2299(3) 0.0758(2) 0.0547(7) Uani 1 1 d . . . . .
H26A H 0.592209 0.299852 0.024227 0.066 Uiso 1 1 calc R U . . .
H26B H 0.455502 0.263888 0.102807 0.066 Uiso 1 1 calc R U . . .
C27 C 0.8541(3) 0.2044(2) 0.26495(17) 0.0430(6) Uani 1 1 d . . . . .
H27A H 0.849687 0.263513 0.305456 0.052 Uiso 1 1 calc R U . . .
H27B H 0.833347 0.128488 0.312872 0.052 Uiso 1 1 calc R U . . .
C28 C 1.0150(3) 0.1645(2) 0.21444(18) 0.0424(6) Uani 1 1 d . . . . .
C29 C 1.1353(2) 0.0540(2) 0.27236(17) 0.0391(5) Uani 1 1 d . . . . .
C30 C 1.1310(3) 0.0167(3) 0.37701(19) 0.0612(8) Uani 1 1 d . . . . .
H30 H 1.049742 0.063921 0.415639 0.073 Uiso 1 1 calc R U . . .
C31 C 1.2436(3) -0.0890(3) 0.4270(2) 0.0712(9) Uani 1 1 d . . . . .
H31 H 1.240260 -0.112380 0.499523 0.085 Uiso 1 1 calc R U . . .
C32 C 1.3589(3) -0.1596(3) 0.3732(2) 0.0644(8) Uani 1 1 d . . . . .
H32 H 1.435003 -0.232918 0.407816 0.077 Uiso 1 1 calc R U . . .
C33 C 1.3639(3) -0.1240(3) 0.2696(2) 0.0784(10) Uani 1 1 d . . . . .
H33 H 1.443238 -0.173494 0.231529 0.094 Uiso 1 1 calc R U . . .
C34 C 1.2552(3) -0.0171(3) 0.2193(2) 0.0650(8) Uani 1 1 d . . . . .
H34 H 1.262815 0.008168 0.146731 0.078 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 C28 1.215(3) . ?
N1 H1 0.8800 . ?
N1 C7 1.273(3) . ?
N1 C14 1.463(3) . ?
C1 H1A 0.9500 . ?
C1 C2 1.384(3) . ?
C1 C6 1.387(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.375(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.376(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.396(3) . ?
C6 C7 1.491(3) . ?
C7 C8 1.498(3) . ?
C8 C9 1.385(3) . ?
C8 C13 1.385(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.394(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.359(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.362(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.390(4) . ?
C13 H13 0.9500 . ?
C14 H14 1.0000 . ?
C14 H14A 1.0000 . ?
C14 C15 1.508(7) . ?
C14 C15A 1.533(13) . ?
C14 C21 1.547(3) . ?
C15 C16 1.388(9) . ?
C15 C20 1.390(9) . ?
C15A C16A 1.379(19) . ?
C15A C20A 1.398(19) . ?
C16 H16 0.9500 . ?
C16 C17 1.383(9) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.395(17) . ?
C17 H17 0.9500 . ?
C17 C18 1.370(8) . ?
C17A H17A 0.9500 . ?
C17A C18A 1.401(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.406(8) . ?
C18A H18A 0.9500 . ?
C18A C19A 1.384(17) . ?
C19 H19 0.9500 . ?
C19 C20 1.381(9) . ?
C19A H19A 0.9500 . ?
C19A C20A 1.367(19) . ?
C20 H20 0.9500 . ?
C20A H20A 0.9500 . ?
C21 H21 1.0000 . ?
C21 C22 1.530(3) . ?
C21 C27 1.527(3) . ?
C22 H22 1.0000 . ?
C22 C23 1.530(3) . ?
C22 C26 1.530(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.510(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.520(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.530(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.511(3) . ?
C28 C29 1.489(3) . ?
C29 C30 1.371(3) . ?
C29 C34 1.378(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.383(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.360(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.357(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.373(4) . ?
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
C7 N1 H1 120.1 . . ?
C7 N1 C14 119.83(19) . . ?
C14 N1 H1 120.1 . . ?
C2 C1 H1A 119.9 . . ?
C2 C1 C6 120.2(3) . . ?
C6 C1 H1A 119.9 . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.6(3) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.5(3) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.1(3) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 118.8(2) . . ?
C1 C6 C7 120.5(2) . . ?
C5 C6 C7 120.6(2) . . ?
N1 C7 C6 119.7(2) . . ?
N1 C7 C8 123.1(2) . . ?
C6 C7 C8 117.24(19) . . ?
C9 C8 C7 121.0(2) . . ?
C13 C8 C7 120.0(2) . . ?
C13 C8 C9 119.0(2) . . ?
C8 C9 H9 119.9 . . ?
C8 C9 C10 120.1(3) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 119.9(3) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.7(3) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.2(3) . . ?
C13 C12 H12 119.9 . . ?
C8 C13 C12 120.0(3) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
N1 C14 H14 106.7 . . ?
N1 C14 H14A 109.6 . . ?
N1 C14 C15 116.2(3) . . ?
N1 C14 C15A 103.6(7) . . ?
N1 C14 C21 110.30(17) . . ?
C15 C14 H14 106.7 . . ?
C15 C14 C21 109.7(5) . . ?
C15A C14 H14A 109.6 . . ?
C15A C14 C21 113.8(9) . . ?
C21 C14 H14 106.7 . . ?
C21 C14 H14A 109.6 . . ?
C16 C15 C14 122.5(6) . . ?
C16 C15 C20 118.4(6) . . ?
C20 C15 C14 119.1(6) . . ?
C16A C15A C14 124.2(12) . . ?
C16A C15A C20A 118.6(11) . . ?
C20A C15A C14 117.0(12) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 C15 122.0(5) . . ?
C17 C16 H16 119.0 . . ?
C15A C16A H16A 119.5 . . ?
C15A C16A C17A 121.1(10) . . ?
C17A C16A H16A 119.5 . . ?
C16 C17 H17 120.7 . . ?
C18 C17 C16 118.6(6) . . ?
C18 C17 H17 120.7 . . ?
C16A C17A H17A 121.1 . . ?
C16A C17A C18A 117.7(10) . . ?
C18A C17A H17A 121.1 . . ?
C17 C18 H18 119.5 . . ?
C17 C18 C19 121.1(5) . . ?
C19 C18 H18 119.5 . . ?
C17A C18A H18A 118.8 . . ?
C19A C18A C17A 122.5(11) . . ?
C19A C18A H18A 118.8 . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 119.1(5) . . ?
C20 C19 H19 120.5 . . ?
C18A C19A H19A 121.2 . . ?
C20A C19A C18A 117.6(11) . . ?
C20A C19A H19A 121.2 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.8(5) . . ?
C19 C20 H20 119.6 . . ?
C15A C20A H20A 118.8 . . ?
C19A C20A C15A 122.5(11) . . ?
C19A C20A H20A 118.8 . . ?
C14 C21 H21 106.9 . . ?
C22 C21 C14 110.67(18) . . ?
C22 C21 H21 106.9 . . ?
C27 C21 C14 113.06(18) . . ?
C27 C21 H21 106.9 . . ?
C27 C21 C22 112.12(19) . . ?
C21 C22 H22 107.6 . . ?
C21 C22 C26 114.47(19) . . ?
C23 C22 C21 116.6(2) . . ?
C23 C22 H22 107.6 . . ?
C23 C22 C26 102.47(19) . . ?
C26 C22 H22 107.6 . . ?
C22 C23 H23A 111.0 . . ?
C22 C23 H23B 111.0 . . ?
H23A C23 H23B 109.0 . . ?
C24 C23 C22 103.9(2) . . ?
C24 C23 H23A 111.0 . . ?
C24 C23 H23B 111.0 . . ?
C23 C24 H24A 110.8 . . ?
C23 C24 H24B 110.8 . . ?
C23 C24 C25 104.9(2) . . ?
H24A C24 H24B 108.8 . . ?
C25 C24 H24A 110.8 . . ?
C25 C24 H24B 110.8 . . ?
C24 C25 H25A 110.5 . . ?
C24 C25 H25B 110.5 . . ?
C24 C25 C26 106.2(2) . . ?
H25A C25 H25B 108.7 . . ?
C26 C25 H25A 110.5 . . ?
C26 C25 H25B 110.5 . . ?
C22 C26 C25 106.5(2) . . ?
C22 C26 H26A 110.4 . . ?
C22 C26 H26B 110.4 . . ?
C25 C26 H26A 110.4 . . ?
C25 C26 H26B 110.4 . . ?
H26A C26 H26B 108.6 . . ?
C21 C27 H27A 108.8 . . ?
C21 C27 H27B 108.8 . . ?
H27A C27 H27B 107.7 . . ?
C28 C27 C21 113.73(19) . . ?
C28 C27 H27A 108.8 . . ?
C28 C27 H27B 108.8 . . ?
O1 C28 C27 121.7(2) . . ?
O1 C28 C29 119.5(2) . . ?
C29 C28 C27 118.7(2) . . ?
C30 C29 C28 123.1(2) . . ?
C30 C29 C34 117.7(2) . . ?
C34 C29 C28 119.1(2) . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.7(2) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.6(3) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 120.4 . . ?
C33 C32 C31 119.2(3) . . ?
C33 C32 H32 120.4 . . ?
C32 C33 H33 119.7 . . ?
C32 C33 C34 120.6(3) . . ?
C34 C33 H33 119.7 . . ?
C29 C34 H34 119.5 . . ?
C33 C34 C29 121.1(2) . . ?
C33 C34 H34 119.5 . . ?

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
O1 C28 C29 C30 154.2(3) . . . . ?
O1 C28 C29 C34 -27.7(3) . . . . ?
N1 C7 C8 C9 101.1(3) . . . . ?
N1 C7 C8 C13 -78.6(3) . . . . ?
N1 C14 C15 C16 23.1(11) . . . . ?
N1 C14 C15 C20 -157.5(6) . . . . ?
N1 C14 C15A C16A 19(2) . . . . ?
N1 C14 C15A C20A -166.2(14) . . . . ?
N1 C14 C21 C22 58.6(2) . . . . ?
N1 C14 C21 C27 -68.1(2) . . . . ?
C1 C2 C3 C4 0.1(5) . . . . ?
C1 C6 C7 N1 -8.5(3) . . . . ?
C1 C6 C7 C8 172.4(2) . . . . ?
C2 C1 C6 C5 -1.3(4) . . . . ?
C2 C1 C6 C7 177.8(2) . . . . ?
C2 C3 C4 C5 -0.6(5) . . . . ?
C3 C4 C5 C6 0.2(5) . . . . ?
C4 C5 C6 C1 0.8(4) . . . . ?
C4 C5 C6 C7 -178.3(2) . . . . ?
C5 C6 C7 N1 170.6(2) . . . . ?
C5 C6 C7 C8 -8.5(3) . . . . ?
C6 C1 C2 C3 0.9(5) . . . . ?
C6 C7 C8 C9 -79.8(3) . . . . ?
C6 C7 C8 C13 100.5(2) . . . . ?
C7 N1 C14 C15 93.8(6) . . . . ?
C7 N1 C14 C15A 97.2(10) . . . . ?
C7 N1 C14 C21 -140.6(2) . . . . ?
C7 C8 C9 C10 -177.9(2) . . . . ?
C7 C8 C13 C12 179.1(2) . . . . ?
C8 C9 C10 C11 -1.6(4) . . . . ?
C9 C8 C13 C12 -0.6(3) . . . . ?
C9 C10 C11 C12 0.3(4) . . . . ?
C10 C11 C12 C13 0.9(4) . . . . ?
C11 C12 C13 C8 -0.7(4) . . . . ?
C13 C8 C9 C10 1.7(3) . . . . ?
C14 N1 C7 C6 178.79(19) . . . . ?
C14 N1 C7 C8 -2.1(3) . . . . ?
C14 C15 C16 C17 178.0(7) . . . . ?
C14 C15 C20 C19 -177.7(7) . . . . ?
C14 C15A C16A C17A 175.8(15) . . . . ?
C14 C15A C20A C19A -177.2(14) . . . . ?
C14 C21 C22 C23 -179.2(2) . . . . ?
C14 C21 C22 C26 61.2(2) . . . . ?
C14 C21 C27 C28 -147.80(19) . . . . ?
C15 C14 C21 C22 -172.2(4) . . . . ?
C15 C14 C21 C27 61.1(4) . . . . ?
C15 C16 C17 C18 -0.8(9) . . . . ?
C15A C14 C21 C22 174.5(8) . . . . ?
C15A C14 C21 C27 47.8(8) . . . . ?
C15A C16A C17A C18A -0.7(17) . . . . ?
C16 C15 C20 C19 1.7(11) . . . . ?
C16 C17 C18 C19 2.6(8) . . . . ?
C16A C15A C20A C19A -2(2) . . . . ?
C16A C17A C18A C19A 1.9(16) . . . . ?
C17 C18 C19 C20 -2.3(8) . . . . ?
C17A C18A C19A C20A -2.9(17) . . . . ?
C18 C19 C20 C15 0.1(9) . . . . ?
C18A C19A C20A C15A 3(2) . . . . ?
C20 C15 C16 C17 -1.3(11) . . . . ?
C20A C15A C16A C17A 1(2) . . . . ?
C21 C14 C15 C16 -102.8(8) . . . . ?
C21 C14 C15 C20 76.5(9) . . . . ?
C21 C14 C15A C16A -101.2(17) . . . . ?
C21 C14 C15A C20A 74.0(17) . . . . ?
C21 C22 C23 C24 -165.6(2) . . . . ?
C21 C22 C26 C25 155.2(2) . . . . ?
C21 C27 C28 O1 28.1(3) . . . . ?
C21 C27 C28 C29 -152.0(2) . . . . ?
C22 C21 C27 C28 86.2(2) . . . . ?
C22 C23 C24 C25 36.7(3) . . . . ?
C23 C22 C26 C25 27.9(3) . . . . ?
C23 C24 C25 C26 -19.0(3) . . . . ?
C24 C25 C26 C22 -5.9(3) . . . . ?
C26 C22 C23 C24 -39.8(3) . . . . ?
C27 C21 C22 C23 -52.0(3) . . . . ?
C27 C21 C22 C26 -171.55(19) . . . . ?
C27 C28 C29 C30 -25.8(4) . . . . ?
C27 C28 C29 C34 152.3(2) . . . . ?
C28 C29 C30 C31 178.1(3) . . . . ?
C28 C29 C34 C33 -176.2(3) . . . . ?
C29 C30 C31 C32 -1.5(5) . . . . ?
C30 C29 C34 C33 2.0(4) . . . . ?
C30 C31 C32 C33 1.1(5) . . . . ?
C31 C32 C33 C34 0.9(5) . . . . ?
C32 C33 C34 C29 -2.4(5) . . . . ?
C34 C29 C30 C31 0.0(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
