# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_bas_175
_database_code_depnum_ccdc_archive 'CCDC 2442651'
loop_
_audit_author_name
_audit_author_address
"Alexander Smol'yakov"
;Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2025-04-10 deposited with the CCDC.	2025-05-07 downloaded from the CCDC.
;
_audit_creation_date             2025-04-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H32 N2 O4'
_chemical_formula_sum            'C30 H32 N2 O4'
_chemical_formula_weight         484.57
_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                   9.531(10)
_cell_length_b                   11.853(14)
_cell_length_c                   12.147(14)
_cell_angle_alpha                70.51(3)
_cell_angle_beta                 74.23(3)
_cell_angle_gamma                85.57(4)
_cell_volume                     1245(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    900
_cell_measurement_temperature    120
_cell_measurement_theta_max      20.28
_cell_measurement_theta_min      2.49
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.976
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1230 before and 0.0867 after correction.
The Ratio of minimum to maximum transmission is 0.5422.
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    1.293
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1473
_diffrn_reflns_av_unetI/netI     0.3111
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10579
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.843
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1961
_reflns_number_total             4820
_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 V8.30A (22 Oct 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.30A (22 Oct 2012)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.857
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         4820
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2045
_refine_ls_R_factor_gt           0.0976
_refine_ls_restrained_S_all      0.857
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2165
_refine_ls_wR_factor_ref         0.2875
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B), C29(H29A,H29B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C18(H18), C19(H19), C21(H21)
2.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C30(H30A,H30B,H30C), C32(H32B,H32A,H32C), C33(H33A,H33B,
 H33C), C36(H36A,H36B,H36C)
;
_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
O24 O -0.0810(4) 0.2466(3) 0.8319(3) 0.0336(9) Uani 1 1 d . . . . .
O25 O -0.0457(4) 0.0590(3) 0.8308(3) 0.0366(10) Uani 1 1 d . . . . .
O28 O -0.1001(4) 0.2701(3) 0.5864(3) 0.0373(10) Uani 1 1 d . . . . .
O34 O 0.1033(4) 0.3840(3) 0.4888(3) 0.0402(10) Uani 1 1 d . . . . .
N1 N 0.6133(4) 0.6449(3) 0.7860(4) 0.0290(10) Uani 1 1 d . . . . .
N31 N 0.1837(4) 0.1259(3) 0.6257(4) 0.0325(11) Uani 1 1 d . . . . .
C2 C 0.5679(5) 0.7599(4) 0.7789(4) 0.0285(12) Uani 1 1 d . . . . .
C3 C 0.4347(5) 0.8120(5) 0.7639(4) 0.0328(13) Uani 1 1 d . . . . .
H3 H 0.359871 0.767000 0.758722 0.039 Uiso 1 1 calc R U . . .
C4 C 0.4154(6) 0.9286(4) 0.7568(5) 0.0345(13) Uani 1 1 d . . . . .
H4 H 0.325652 0.965683 0.746725 0.041 Uiso 1 1 calc R U . . .
C5 C 0.5264(6) 0.9954(5) 0.7641(5) 0.0404(14) Uani 1 1 d . . . . .
H5 H 0.510158 1.076624 0.759943 0.049 Uiso 1 1 calc R U . . .
C6 C 0.6584(6) 0.9444(4) 0.7771(5) 0.0357(13) Uani 1 1 d . . . . .
H6 H 0.733430 0.990461 0.780491 0.043 Uiso 1 1 calc R U . . .
C7 C 0.6803(5) 0.8258(4) 0.7852(5) 0.0292(12) Uani 1 1 d . . . . .
C8 C 0.8006(5) 0.7447(4) 0.7985(4) 0.0303(13) Uani 1 1 d . . . . .
C9 C 0.9395(5) 0.7544(5) 0.8137(4) 0.0324(13) Uani 1 1 d . . . . .
H9 H 0.973711 0.828580 0.811452 0.039 Uiso 1 1 calc R U . . .
C10 C 1.0247(6) 0.6549(5) 0.8320(5) 0.0370(14) Uani 1 1 d . . . . .
H10 H 1.116913 0.659319 0.846290 0.044 Uiso 1 1 calc R U . . .
C11 C 0.9777(6) 0.5467(5) 0.8298(5) 0.0358(14) Uani 1 1 d . . . . .
H11 H 1.039515 0.479295 0.840602 0.043 Uiso 1 1 calc R U . . .
C12 C 0.8428(6) 0.5368(5) 0.8121(5) 0.0333(13) Uani 1 1 d . . . . .
H12 H 0.811190 0.463653 0.810022 0.040 Uiso 1 1 calc R U . . .
C13 C 0.7563(5) 0.6344(4) 0.7977(5) 0.0292(12) Uani 1 1 d . . . . .
C14 C 0.5267(5) 0.5525(4) 0.7867(5) 0.0279(12) Uani 1 1 d . . . . .
C15 C 0.4108(5) 0.5028(5) 0.8850(5) 0.0317(13) Uani 1 1 d . . . . .
H15 H 0.388962 0.531135 0.952169 0.038 Uiso 1 1 calc R U . . .
C16 C 0.3265(5) 0.4126(4) 0.8867(4) 0.0296(12) Uani 1 1 d . . . . .
H16 H 0.249017 0.377941 0.956144 0.036 Uiso 1 1 calc R U . . .
C17 C 0.3531(5) 0.3717(4) 0.7887(5) 0.0281(12) Uani 1 1 d . . . . .
C18 C 0.4698(5) 0.4226(4) 0.6900(5) 0.0336(13) Uani 1 1 d . . . . .
H18 H 0.490695 0.395124 0.622260 0.040 Uiso 1 1 calc R U . . .
C19 C 0.5564(5) 0.5125(4) 0.6878(5) 0.0315(13) Uani 1 1 d . . . . .
H19 H 0.635311 0.546364 0.619327 0.038 Uiso 1 1 calc R U . . .
C20 C 0.2590(5) 0.2774(4) 0.7880(5) 0.0300(12) Uani 1 1 d . . . . .
C21 C 0.2076(5) 0.2962(5) 0.6930(5) 0.0321(13) Uani 1 1 d . . . . .
H21 H 0.239549 0.368787 0.629065 0.039 Uiso 1 1 calc R U . . .
C22 C 0.1057(5) 0.2200(4) 0.6702(5) 0.0282(12) Uani 1 1 d . . . . .
C23 C -0.0161(6) 0.1626(5) 0.7872(5) 0.0338(13) Uani 1 1 d . . . . .
C26 C -0.1980(5) 0.2078(5) 0.9429(5) 0.0382(14) Uani 1 1 d . . . . .
H26A H -0.203996 0.263480 0.989169 0.046 Uiso 1 1 calc R U . . .
H26B H -0.176709 0.127071 0.993618 0.046 Uiso 1 1 calc R U . . .
C27 C -0.3419(5) 0.2045(5) 0.9142(5) 0.0418(15) Uani 1 1 d . . . . .
H27A H -0.356412 0.281194 0.855145 0.063 Uiso 1 1 calc R U . . .
H27B H -0.421175 0.190160 0.988464 0.063 Uiso 1 1 calc R U . . .
H27C H -0.341371 0.139954 0.880507 0.063 Uiso 1 1 calc R U . . .
C29 C -0.1668(6) 0.3370(5) 0.4894(5) 0.0416(15) Uani 1 1 d . . . . .
H29A H -0.092294 0.358937 0.410671 0.050 Uiso 1 1 calc R U . . .
H29B H -0.209811 0.411474 0.503124 0.050 Uiso 1 1 calc R U . . .
C30 C -0.2823(6) 0.2601(5) 0.4883(6) 0.0481(16) Uani 1 1 d . . . . .
H30A H -0.330076 0.304270 0.424868 0.072 Uiso 1 1 calc R U . . .
H30B H -0.354554 0.237616 0.567077 0.072 Uiso 1 1 calc R U . . .
H30C H -0.238327 0.187743 0.472333 0.072 Uiso 1 1 calc R U . . .
C32 C 0.3227(5) 0.1655(5) 0.5362(5) 0.0377(14) Uani 1 1 d . . . . .
H32B H 0.372298 0.096935 0.515530 0.057 Uiso 1 1 calc R U . . .
H32A H 0.383880 0.200777 0.569696 0.057 Uiso 1 1 calc R U . . .
H32C H 0.305183 0.225554 0.463228 0.057 Uiso 1 1 calc R U . . .
C33 C 0.0975(6) 0.0654(5) 0.5768(5) 0.0404(14) Uani 1 1 d . . . . .
H33A H 0.000624 0.044295 0.632956 0.061 Uiso 1 1 calc R U . . .
H33B H 0.147180 -0.007447 0.566704 0.061 Uiso 1 1 calc R U . . .
H33C H 0.087555 0.119208 0.498182 0.061 Uiso 1 1 calc R U . . .
C35 C 0.0371(6) 0.3055(5) 0.5723(5) 0.0333(13) Uani 1 1 d . . . . .
C36 C 0.2243(6) 0.1686(5) 0.9019(5) 0.0398(14) Uani 1 1 d . . . . .
H36A H 0.147454 0.188381 0.964558 0.060 Uiso 1 1 calc R U . . .
H36B H 0.312130 0.145091 0.930825 0.060 Uiso 1 1 calc R U . . .
H36C H 0.191053 0.102342 0.883618 0.060 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
O24 C23 1.323(6) . ?
O24 C26 1.456(6) . ?
O25 C23 1.186(6) . ?
O28 C29 1.458(6) . ?
O28 C35 1.353(6) . ?
O34 C35 1.185(6) . ?
N1 C2 1.379(6) . ?
N1 C13 1.400(6) . ?
N1 C14 1.418(6) . ?
N31 C22 1.464(6) . ?
N31 C32 1.459(6) . ?
N31 C33 1.478(6) . ?
C2 C3 1.399(7) . ?
C2 C7 1.406(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.357(7) . ?
C4 H4 0.9500 . ?
C4 C5 1.408(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.380(7) . ?
C7 C8 1.446(7) . ?
C8 C9 1.404(7) . ?
C8 C13 1.408(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.369(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.402(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.379(7) . ?
C12 H12 0.9500 . ?
C12 C13 1.358(7) . ?
C14 C15 1.380(7) . ?
C14 C19 1.386(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.377(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.386(7) . ?
C17 C18 1.391(7) . ?
C17 C20 1.489(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.387(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.319(7) . ?
C20 C36 1.520(7) . ?
C21 H21 0.9500 . ?
C21 C22 1.512(7) . ?
C22 C23 1.553(7) . ?
C22 C35 1.544(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.510(7) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.488(7) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?

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
C23 O24 C26 116.9(4) . . ?
C35 O28 C29 115.1(4) . . ?
C2 N1 C13 108.2(4) . . ?
C2 N1 C14 125.4(4) . . ?
C13 N1 C14 126.3(4) . . ?
C22 N31 C33 114.3(4) . . ?
C32 N31 C22 114.0(4) . . ?
C32 N31 C33 108.6(4) . . ?
N1 C2 C3 128.5(5) . . ?
N1 C2 C7 109.9(4) . . ?
C3 C2 C7 121.5(5) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.2(5) . . ?
C4 C3 H3 120.9 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 120.9(5) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.8(5) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C7 119.3(5) . . ?
C7 C6 H6 120.4 . . ?
C2 C7 C8 106.2(4) . . ?
C6 C7 C2 119.3(5) . . ?
C6 C7 C8 134.5(5) . . ?
C9 C8 C7 134.1(5) . . ?
C9 C8 C13 118.9(5) . . ?
C13 C8 C7 107.1(4) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 C8 118.7(5) . . ?
C10 C9 H9 120.7 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C11 121.0(5) . . ?
C11 C10 H10 119.5 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.8(5) . . ?
C12 C11 H11 119.6 . . ?
C11 C12 H12 120.9 . . ?
C13 C12 C11 118.3(5) . . ?
C13 C12 H12 120.9 . . ?
N1 C13 C8 108.6(4) . . ?
C12 C13 N1 129.0(5) . . ?
C12 C13 C8 122.3(5) . . ?
C15 C14 N1 120.4(5) . . ?
C15 C14 C19 119.4(5) . . ?
C19 C14 N1 120.2(5) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.8(5) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 120.9(5) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 C18 117.8(5) . . ?
C16 C17 C20 121.3(5) . . ?
C18 C17 C20 120.9(5) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 C17 121.7(5) . . ?
C19 C18 H18 119.1 . . ?
C14 C19 C18 119.3(5) . . ?
C14 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C17 C20 C36 116.1(4) . . ?
C21 C20 C17 118.6(5) . . ?
C21 C20 C36 125.3(5) . . ?
C20 C21 H21 115.0 . . ?
C20 C21 C22 130.0(5) . . ?
C22 C21 H21 115.0 . . ?
N31 C22 C21 111.7(4) . . ?
N31 C22 C23 109.6(4) . . ?
N31 C22 C35 109.2(4) . . ?
C21 C22 C23 110.6(4) . . ?
C21 C22 C35 106.0(4) . . ?
C35 C22 C23 109.6(4) . . ?
O24 C23 C22 109.7(4) . . ?
O25 C23 O24 125.1(5) . . ?
O25 C23 C22 125.2(5) . . ?
O24 C26 H26A 109.6 . . ?
O24 C26 H26B 109.6 . . ?
O24 C26 C27 110.5(4) . . ?
H26A C26 H26B 108.1 . . ?
C27 C26 H26A 109.6 . . ?
C27 C26 H26B 109.6 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O28 C29 H29A 110.0 . . ?
O28 C29 H29B 110.0 . . ?
O28 C29 C30 108.3(4) . . ?
H29A C29 H29B 108.4 . . ?
C30 C29 H29A 110.0 . . ?
C30 C29 H29B 110.0 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N31 C32 H32B 109.5 . . ?
N31 C32 H32A 109.5 . . ?
N31 C32 H32C 109.5 . . ?
H32B C32 H32A 109.5 . . ?
H32B C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
N31 C33 H33A 109.5 . . ?
N31 C33 H33B 109.5 . . ?
N31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O28 C35 C22 111.3(4) . . ?
O34 C35 O28 124.9(5) . . ?
O34 C35 C22 123.2(5) . . ?
C20 C36 H36A 109.5 . . ?
C20 C36 H36B 109.5 . . ?
C20 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 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
N1 C2 C3 C4 -178.6(5) . . . . ?
N1 C2 C7 C6 178.6(5) . . . . ?
N1 C2 C7 C8 -0.8(5) . . . . ?
N1 C14 C15 C16 -179.7(4) . . . . ?
N1 C14 C19 C18 -179.5(5) . . . . ?
N31 C22 C23 O24 176.2(4) . . . . ?
N31 C22 C23 O25 -3.2(7) . . . . ?
N31 C22 C35 O28 91.1(5) . . . . ?
N31 C22 C35 O34 -81.4(6) . . . . ?
C2 N1 C13 C8 0.2(5) . . . . ?
C2 N1 C13 C12 177.3(5) . . . . ?
C2 N1 C14 C15 -69.0(7) . . . . ?
C2 N1 C14 C19 110.0(6) . . . . ?
C2 C3 C4 C5 0.2(8) . . . . ?
C2 C7 C8 C9 -177.3(5) . . . . ?
C2 C7 C8 C13 0.9(6) . . . . ?
C3 C2 C7 C6 0.4(7) . . . . ?
C3 C2 C7 C8 -179.0(4) . . . . ?
C3 C4 C5 C6 0.8(8) . . . . ?
C4 C5 C6 C7 -1.2(8) . . . . ?
C5 C6 C7 C2 0.5(8) . . . . ?
C5 C6 C7 C8 179.7(5) . . . . ?
C6 C7 C8 C9 3.5(10) . . . . ?
C6 C7 C8 C13 -178.3(6) . . . . ?
C7 C2 C3 C4 -0.8(7) . . . . ?
C7 C8 C9 C10 175.5(5) . . . . ?
C7 C8 C13 N1 -0.7(6) . . . . ?
C7 C8 C13 C12 -178.0(5) . . . . ?
C8 C9 C10 C11 3.0(8) . . . . ?
C9 C8 C13 N1 177.8(4) . . . . ?
C9 C8 C13 C12 0.5(8) . . . . ?
C9 C10 C11 C12 -1.6(8) . . . . ?
C10 C11 C12 C13 -0.5(8) . . . . ?
C11 C12 C13 N1 -175.8(5) . . . . ?
C11 C12 C13 C8 1.0(8) . . . . ?
C13 N1 C2 C3 178.4(5) . . . . ?
C13 N1 C2 C7 0.4(5) . . . . ?
C13 N1 C14 C15 107.9(6) . . . . ?
C13 N1 C14 C19 -73.1(6) . . . . ?
C13 C8 C9 C10 -2.5(7) . . . . ?
C14 N1 C2 C3 -4.3(8) . . . . ?
C14 N1 C2 C7 177.7(5) . . . . ?
C14 N1 C13 C8 -177.1(5) . . . . ?
C14 N1 C13 C12 0.0(8) . . . . ?
C14 C15 C16 C17 -1.8(8) . . . . ?
C15 C14 C19 C18 -0.5(8) . . . . ?
C15 C16 C17 C18 1.6(7) . . . . ?
C15 C16 C17 C20 -177.6(5) . . . . ?
C16 C17 C18 C19 -0.8(8) . . . . ?
C16 C17 C20 C21 130.4(5) . . . . ?
C16 C17 C20 C36 -46.8(7) . . . . ?
C17 C18 C19 C14 0.3(8) . . . . ?
C17 C20 C21 C22 -177.0(5) . . . . ?
C18 C17 C20 C21 -48.8(7) . . . . ?
C18 C17 C20 C36 134.0(5) . . . . ?
C19 C14 C15 C16 1.3(8) . . . . ?
C20 C17 C18 C19 178.4(5) . . . . ?
C20 C21 C22 N31 -83.1(7) . . . . ?
C20 C21 C22 C23 39.2(7) . . . . ?
C20 C21 C22 C35 158.0(5) . . . . ?
C21 C22 C23 O24 52.6(5) . . . . ?
C21 C22 C23 O25 -126.8(6) . . . . ?
C21 C22 C35 O28 -148.4(4) . . . . ?
C21 C22 C35 O34 39.2(7) . . . . ?
C23 O24 C26 C27 -87.8(5) . . . . ?
C23 C22 C35 O28 -29.0(6) . . . . ?
C23 C22 C35 O34 158.6(5) . . . . ?
C26 O24 C23 O25 -0.2(7) . . . . ?
C26 O24 C23 C22 -179.6(4) . . . . ?
C29 O28 C35 O34 -0.4(8) . . . . ?
C29 O28 C35 C22 -172.7(4) . . . . ?
C32 N31 C22 C21 -41.8(6) . . . . ?
C32 N31 C22 C23 -164.7(4) . . . . ?
C32 N31 C22 C35 75.2(5) . . . . ?
C33 N31 C22 C21 -167.4(4) . . . . ?
C33 N31 C22 C23 69.7(5) . . . . ?
C33 N31 C22 C35 -50.4(5) . . . . ?
C35 O28 C29 C30 156.1(5) . . . . ?
C35 C22 C23 O24 -64.0(5) . . . . ?
C35 C22 C23 O25 116.6(6) . . . . ?
C36 C20 C21 C22 -0.1(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
