# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
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data_p60_le_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2362310'
loop_
_audit_author_name
_audit_author_address
'anil pawar'
;IIT Guwahati
India
;
_audit_update_record             
;
2024-06-12 deposited with the CCDC.	2025-01-09 downloaded from the CCDC.
;
_audit_creation_date             2023-10-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.02.24 svn.rf166f9f3 for OlexSys, GUI svn.r6725)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H23 N O3, H2 O'
_chemical_formula_sum            'C29 H25 N O4'
_chemical_formula_weight         451.50
_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                   7.165(3)
_cell_length_b                   11.129(4)
_cell_length_c                   16.227(7)
_cell_angle_alpha                102.949(11)
_cell_angle_beta                 100.339(11)
_cell_angle_gamma                106.162(11)
_cell_volume                     1170.1(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9688
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      24.90
_cell_measurement_theta_min      2.67
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6546
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1192 before and 0.0814 after correction.
The Ratio of minimum to maximum transmission is 0.8784.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0452
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23631
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.043
_diffrn_reflns_theta_max         25.043
_diffrn_reflns_theta_min         2.828
_diffrn_ambient_temperature      297.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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_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                2791
_reflns_number_total             4073
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (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         0.524
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         4073
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1234
_refine_ls_R_factor_gt           0.0916
_refine_ls_restrained_S_all      1.011
_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)+(0.0225P)²+1.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1666
_refine_ls_wR_factor_ref         0.1852
_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, All O(H,H) groups
2.a Free rotating group:
 O4(H4A,H4B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C12(H12), C13(H13), C20(H20),
 C21(H21), C22(H22), C23(H23)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.7168(4) 1.0803(2) 0.38886(16) 0.0662(7) Uani 1 1 d . . . . .
O2 O 0.4688(4) 0.4662(3) 0.21862(18) 0.0810(8) Uani 1 1 d . . . . .
O3 O 0.3514(5) 0.4297(4) 0.0760(2) 0.1210(13) Uani 1 1 d . . . . .
O4 O 0.2590(16) 0.5174(8) 0.5566(6) 0.240(3) Uani 1 1 d G . . . .
H4A H 0.318182 0.554740 0.523581 0.361 Uiso 1 1 d G U . . .
H4B H 0.281706 0.445300 0.548882 0.361 Uiso 1 1 d G U . . .
N1 N 0.4392(5) 0.6384(3) 0.4356(2) 0.0693(9) Uani 1 1 d . . . . .
C1 C 0.7525(5) 0.9906(4) 0.5104(2) 0.0613(9) Uani 1 1 d . . . . .
C2 C 0.8000(5) 1.0949(4) 0.4758(2) 0.0633(10) Uani 1 1 d . . . . .
C3 C 0.9335(6) 1.2158(4) 0.5263(3) 0.0772(12) Uani 1 1 d . . . . .
H3 H 0.965242 1.285094 0.502443 0.093 Uiso 1 1 calc R U . . .
C4 C 1.0191(7) 1.2317(5) 0.6133(3) 0.0898(14) Uani 1 1 d . . . . .
H4 H 1.109039 1.313020 0.647704 0.108 Uiso 1 1 calc R U . . .
C5 C 0.9760(6) 1.1325(6) 0.6501(3) 0.0903(15) Uani 1 1 d . . . . .
H5 H 1.036613 1.146815 0.708708 0.108 Uiso 1 1 calc R U . . .
C6 C 0.3266(5) 0.7195(3) 0.2236(2) 0.0532(8) Uani 1 1 d . . . . .
H6 H 0.238562 0.639655 0.186247 0.064 Uiso 1 1 calc R U . . .
C7 C 0.5101(5) 0.9479(3) 0.2497(2) 0.0589(9) Uani 1 1 d . . . . .
H7 H 0.545221 1.020308 0.228919 0.071 Uiso 1 1 calc R U . . .
C8 C 0.8390(6) 1.0069(5) 0.5998(3) 0.0757(12) Uani 1 1 d . . . . .
C9 C 0.6180(5) 0.8661(4) 0.4570(2) 0.0570(9) Uani 1 1 d . . . . .
C10 C 0.5375(5) 0.8520(3) 0.3679(2) 0.0507(8) Uani 1 1 d . . . . .
C11 C 0.5876(5) 0.9595(3) 0.3348(2) 0.0533(8) Uani 1 1 d . . . . .
C12 C 0.7841(7) 0.8962(6) 0.6310(3) 0.0913(15) Uani 1 1 d . . . . .
H12 H 0.839182 0.905607 0.689436 0.110 Uiso 1 1 calc R U . . .
C13 C 0.6541(7) 0.7760(5) 0.5795(3) 0.0860(13) Uani 1 1 d . . . . .
H13 H 0.622342 0.706227 0.602917 0.103 Uiso 1 1 calc R U . . .
C14 C 0.5676(6) 0.7594(4) 0.4889(2) 0.0669(10) Uani 1 1 d . . . . .
C15 C 0.3657(5) 0.6244(4) 0.3519(2) 0.0582(9) Uani 1 1 d . . . . .
C16 C 0.4076(5) 0.7296(3) 0.3119(2) 0.0512(8) Uani 1 1 d . . . . .
C17 C 0.3760(5) 0.8264(3) 0.1918(2) 0.0541(8) Uani 1 1 d . . . . .
C18 C 0.2272(6) 0.4908(4) 0.2990(3) 0.0657(10) Uani 1 1 d . . . . .
C19 C 0.2757(7) 0.4135(4) 0.2319(3) 0.0720(11) Uani 1 1 d . . . . .
C20 C 0.1497(8) 0.2871(5) 0.1857(3) 0.0925(14) Uani 1 1 d . . . . .
H20 H 0.185581 0.236630 0.141370 0.111 Uiso 1 1 calc R U . . .
C21 C -0.0296(9) 0.2373(5) 0.2064(4) 0.1063(17) Uani 1 1 d . . . . .
H21 H -0.116744 0.153795 0.174804 0.128 Uiso 1 1 calc R U . . .
C22 C -0.0792(8) 0.3110(5) 0.2737(4) 0.1050(17) Uani 1 1 d . . . . .
H22 H -0.199169 0.277088 0.287941 0.126 Uiso 1 1 calc R U . . .
C23 C 0.0503(7) 0.4364(4) 0.3203(3) 0.0854(13) Uani 1 1 d . . . . .
H23 H 0.017494 0.484682 0.366799 0.102 Uiso 1 1 calc R U . . .
C24 C 0.2931(6) 0.8188(4) 0.0962(2) 0.0709(11) Uani 1 1 d . . . . .
C25 C 0.1455(8) 0.6846(5) 0.0430(3) 0.1039(17) Uani 1 1 d . . . . .
H25A H 0.105270 0.683227 -0.017050 0.156 Uiso 1 1 calc R U . . .
H25B H 0.029284 0.666219 0.065768 0.156 Uiso 1 1 calc R U . . .
H25C H 0.208586 0.619686 0.046553 0.156 Uiso 1 1 calc R U . . .
C26 C 0.4901(8) 0.4711(5) 0.1391(3) 0.0898(14) Uani 1 1 d . . . . .
C27 C 0.1950(12) 0.9218(6) 0.0918(4) 0.158(3) Uani 1 1 d . . . . .
H27A H 0.147763 0.918149 0.031743 0.237 Uiso 1 1 calc R U . . .
H27B H 0.291311 1.006625 0.123036 0.237 Uiso 1 1 calc R U . . .
H27C H 0.083625 0.906121 0.117769 0.237 Uiso 1 1 calc R U . . .
C28 C 0.4703(9) 0.8438(6) 0.0528(3) 0.132(2) Uani 1 1 d . . . . .
H28A H 0.420354 0.837327 -0.007556 0.198 Uiso 1 1 calc R U . . .
H28B H 0.535451 0.779844 0.056611 0.198 Uiso 1 1 calc R U . . .
H28C H 0.565142 0.929640 0.082520 0.198 Uiso 1 1 calc R U . . .
C29 C 0.7009(7) 0.5347(6) 0.1420(3) 0.119(2) Uani 1 1 d . . . . .
H29A H 0.746238 0.623328 0.178663 0.179 Uiso 1 1 calc R U . . .
H29B H 0.712665 0.534114 0.083918 0.179 Uiso 1 1 calc R U . . .
H29C H 0.781870 0.488309 0.165310 0.179 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 C2 1.384(4) . ?
O1 C11 1.386(4) . ?
O2 C19 1.420(5) . ?
O2 C26 1.337(5) . ?
O3 C26 1.191(5) . ?
O4 H4A 0.8501 . ?
O4 H4B 0.8490 . ?
N1 C14 1.381(5) . ?
N1 C15 1.322(4) . ?
C1 C2 1.386(5) . ?
C1 C8 1.421(5) . ?
C1 C9 1.420(5) . ?
C2 C3 1.380(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.357(7) . ?
C5 H5 0.9300 . ?
C5 C8 1.421(6) . ?
C6 H6 0.9300 . ?
C6 C16 1.412(4) . ?
C6 C17 1.383(4) . ?
C7 H7 0.9300 . ?
C7 C11 1.357(5) . ?
C7 C17 1.420(5) . ?
C8 C12 1.417(7) . ?
C9 C10 1.412(4) . ?
C9 C14 1.383(5) . ?
C10 C11 1.402(5) . ?
C10 C16 1.408(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.371(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.438(5) . ?
C15 C16 1.449(4) . ?
C15 C18 1.495(5) . ?
C17 C24 1.533(5) . ?
C18 C19 1.388(5) . ?
C18 C23 1.385(5) . ?
C19 C20 1.391(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.383(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.375(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.391(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.519(5) . ?
C24 C27 1.510(6) . ?
C24 C28 1.548(6) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C29 1.466(6) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 O1 C11 120.0(3) . . ?
C26 O2 C19 120.9(3) . . ?
H4A O4 H4B 104.5 . . ?
C15 N1 C14 119.0(3) . . ?
C2 C1 C8 120.2(4) . . ?
C2 C1 C9 120.5(3) . . ?
C9 C1 C8 119.3(4) . . ?
O1 C2 C1 120.8(3) . . ?
C3 C2 O1 117.9(4) . . ?
C3 C2 C1 121.3(4) . . ?
C2 C3 H3 120.7 . . ?
C2 C3 C4 118.6(5) . . ?
C4 C3 H3 120.7 . . ?
C3 C4 H4 119.0 . . ?
C5 C4 C3 122.1(5) . . ?
C5 C4 H4 119.0 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C8 120.7(4) . . ?
C8 C5 H5 119.7 . . ?
C16 C6 H6 119.4 . . ?
C17 C6 H6 119.4 . . ?
C17 C6 C16 121.1(3) . . ?
C11 C7 H7 119.7 . . ?
C11 C7 C17 120.7(3) . . ?
C17 C7 H7 119.7 . . ?
C5 C8 C1 117.1(5) . . ?
C12 C8 C1 117.3(4) . . ?
C12 C8 C5 125.6(4) . . ?
C10 C9 C1 118.1(3) . . ?
C14 C9 C1 122.3(3) . . ?
C14 C9 C10 119.6(4) . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 C16 119.8(3) . . ?
C16 C10 C9 120.1(3) . . ?
O1 C11 C10 120.5(3) . . ?
C7 C11 O1 118.6(3) . . ?
C7 C11 C10 120.9(3) . . ?
C8 C12 H12 118.3 . . ?
C13 C12 C8 123.5(4) . . ?
C13 C12 H12 118.3 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.2(4) . . ?
C14 C13 H13 120.4 . . ?
N1 C14 C9 121.5(3) . . ?
N1 C14 C13 120.0(4) . . ?
C9 C14 C13 118.5(4) . . ?
N1 C15 C16 124.0(3) . . ?
N1 C15 C18 115.7(3) . . ?
C16 C15 C18 120.3(3) . . ?
C6 C16 C15 125.7(3) . . ?
C10 C16 C6 118.6(3) . . ?
C10 C16 C15 115.7(3) . . ?
C6 C17 C7 118.9(3) . . ?
C6 C17 C24 122.6(3) . . ?
C7 C17 C24 118.5(3) . . ?
C19 C18 C15 122.2(3) . . ?
C23 C18 C15 119.9(4) . . ?
C23 C18 C19 117.7(4) . . ?
C18 C19 O2 116.2(4) . . ?
C18 C19 C20 121.7(4) . . ?
C20 C19 O2 121.8(4) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.3(5) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.1(5) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.9(5) . . ?
C23 C22 H22 120.1 . . ?
C18 C23 C22 121.3(5) . . ?
C18 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C17 C24 C28 108.5(3) . . ?
C25 C24 C17 112.8(3) . . ?
C25 C24 C28 106.3(4) . . ?
C27 C24 C17 110.1(4) . . ?
C27 C24 C25 110.0(4) . . ?
C27 C24 C28 109.0(5) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O2 C26 C29 111.2(4) . . ?
O3 C26 O2 122.6(5) . . ?
O3 C26 C29 126.2(5) . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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
O1 C2 C3 C4 -179.6(3) . . . . ?
O2 C19 C20 C21 174.8(4) . . . . ?
N1 C15 C16 C6 -177.7(3) . . . . ?
N1 C15 C16 C10 1.0(5) . . . . ?
N1 C15 C18 C19 -114.3(4) . . . . ?
N1 C15 C18 C23 60.9(5) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C1 C8 C12 C13 0.3(6) . . . . ?
C1 C9 C10 C11 -1.2(4) . . . . ?
C1 C9 C10 C16 178.4(3) . . . . ?
C1 C9 C14 N1 -178.9(3) . . . . ?
C1 C9 C14 C13 0.4(5) . . . . ?
C2 O1 C11 C7 -179.3(3) . . . . ?
C2 O1 C11 C10 1.1(4) . . . . ?
C2 C1 C8 C5 -1.0(5) . . . . ?
C2 C1 C8 C12 -180.0(3) . . . . ?
C2 C1 C9 C10 0.9(4) . . . . ?
C2 C1 C9 C14 179.6(3) . . . . ?
C2 C3 C4 C5 0.1(6) . . . . ?
C3 C4 C5 C8 -0.1(6) . . . . ?
C4 C5 C8 C1 0.6(6) . . . . ?
C4 C5 C8 C12 179.5(4) . . . . ?
C5 C8 C12 C13 -178.6(4) . . . . ?
C6 C17 C24 C25 2.9(5) . . . . ?
C6 C17 C24 C27 126.2(5) . . . . ?
C6 C17 C24 C28 -114.6(4) . . . . ?
C7 C17 C24 C25 -177.7(4) . . . . ?
C7 C17 C24 C27 -54.4(5) . . . . ?
C7 C17 C24 C28 64.8(5) . . . . ?
C8 C1 C2 O1 180.0(3) . . . . ?
C8 C1 C2 C3 0.9(5) . . . . ?
C8 C1 C9 C10 -178.7(3) . . . . ?
C8 C1 C9 C14 0.0(5) . . . . ?
C8 C12 C13 C14 0.1(6) . . . . ?
C9 C1 C2 O1 0.4(5) . . . . ?
C9 C1 C2 C3 -178.7(3) . . . . ?
C9 C1 C8 C5 178.7(3) . . . . ?
C9 C1 C8 C12 -0.3(5) . . . . ?
C9 C10 C11 O1 0.2(4) . . . . ?
C9 C10 C11 C7 -179.4(3) . . . . ?
C9 C10 C16 C6 178.8(3) . . . . ?
C9 C10 C16 C15 0.0(4) . . . . ?
C10 C9 C14 N1 -0.2(5) . . . . ?
C10 C9 C14 C13 179.1(3) . . . . ?
C11 O1 C2 C1 -1.4(4) . . . . ?
C11 O1 C2 C3 177.7(3) . . . . ?
C11 C7 C17 C6 -0.5(5) . . . . ?
C11 C7 C17 C24 -179.9(3) . . . . ?
C11 C10 C16 C6 -1.7(4) . . . . ?
C11 C10 C16 C15 179.6(3) . . . . ?
C12 C13 C14 N1 178.8(4) . . . . ?
C12 C13 C14 C9 -0.5(6) . . . . ?
C14 N1 C15 C16 -1.5(5) . . . . ?
C14 N1 C15 C18 -179.7(3) . . . . ?
C14 C9 C10 C11 -180.0(3) . . . . ?
C14 C9 C10 C16 -0.4(4) . . . . ?
C15 N1 C14 C9 1.1(5) . . . . ?
C15 N1 C14 C13 -178.1(3) . . . . ?
C15 C18 C19 O2 2.6(5) . . . . ?
C15 C18 C19 C20 177.0(3) . . . . ?
C15 C18 C23 C22 -178.4(4) . . . . ?
C16 C6 C17 C7 -0.2(5) . . . . ?
C16 C6 C17 C24 179.2(3) . . . . ?
C16 C10 C11 O1 -179.4(3) . . . . ?
C16 C10 C11 C7 1.0(5) . . . . ?
C16 C15 C18 C19 67.4(5) . . . . ?
C16 C15 C18 C23 -117.4(4) . . . . ?
C17 C6 C16 C10 1.2(5) . . . . ?
C17 C6 C16 C15 179.8(3) . . . . ?
C17 C7 C11 O1 -179.6(3) . . . . ?
C17 C7 C11 C10 0.0(5) . . . . ?
C18 C15 C16 C6 0.4(5) . . . . ?
C18 C15 C16 C10 179.0(3) . . . . ?
C18 C19 C20 C21 0.6(6) . . . . ?
C19 O2 C26 O3 -1.6(7) . . . . ?
C19 O2 C26 C29 177.4(4) . . . . ?
C19 C18 C23 C22 -3.0(6) . . . . ?
C19 C20 C21 C22 -1.8(7) . . . . ?
C20 C21 C22 C23 0.7(8) . . . . ?
C21 C22 C23 C18 1.8(7) . . . . ?
C23 C18 C19 O2 -172.7(3) . . . . ?
C23 C18 C19 C20 1.8(6) . . . . ?
C26 O2 C19 C18 -128.8(4) . . . . ?
C26 O2 C19 C20 56.7(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
