# Supplementary Information (SI) for ChemComm.
# 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. 
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data_1_a
_audit_block_doi                 10.5517/ccdc.csd.cc2mjk2t
_database_code_depnum_ccdc_archive 'CCDC 2428976'
loop_
_audit_author_name
_audit_author_address
'kai hu'
;Tai zhou University
China
;
_audit_update_record             
;
2025-03-05 deposited with the CCDC.	2025-06-09 downloaded from the CCDC.
;
_audit_creation_date             2024-09-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H23 N O3'
_chemical_formula_sum            'C28 H23 N O3'
_chemical_formula_weight         421.47
_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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.893(14)
_cell_length_b                   20.91(2)
_cell_length_c                   7.841(8)
_cell_angle_alpha                90
_cell_angle_beta                 100.45(3)
_cell_angle_gamma                90
_cell_volume                     2241(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4051
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.90
_cell_measurement_theta_min      2.82
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.982
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6532
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0669 before and 0.0594 after correction.
The Ratio of minimum to maximum transmission is 0.8765.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            19739
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.055
_diffrn_reflns_theta_max         25.055
_diffrn_reflns_theta_min         2.815
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2323
_reflns_number_total             3944
_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 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.131
_refine_diff_density_min         -0.161
_refine_diff_density_rms         0.031
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3944
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0521
_refine_ls_restrained_S_all      1.016
_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)+(0.0563P)²+0.4155P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1077
_refine_ls_wR_factor_ref         0.1320
_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 Ternary CH refined with riding coordinates:
 C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C20(H20A,H20B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
2.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C)
;
_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
C1 C 0.24267(18) 0.31564(11) 0.2078(3) 0.0632(7) Uani 1 1 d . . . . .
H1 H 0.2994 0.3345 0.2678 0.076 Uiso 1 1 calc R U . . .
C2 C 0.2313(2) 0.25014(12) 0.2134(4) 0.0770(8) Uani 1 1 d . . . . .
H2 H 0.2807 0.2251 0.2760 0.092 Uiso 1 1 calc R U . . .
C3 C 0.1483(2) 0.22212(13) 0.1280(4) 0.0856(9) Uani 1 1 d . . . . .
H3 H 0.1410 0.1780 0.1323 0.103 Uiso 1 1 calc R U . . .
C4 C 0.0758(2) 0.25857(14) 0.0360(4) 0.0829(9) Uani 1 1 d . . . . .
H4 H 0.0187 0.2392 -0.0210 0.100 Uiso 1 1 calc R U . . .
C5 C 0.08613(17) 0.32409(12) 0.0265(3) 0.0654(7) Uani 1 1 d . . . . .
H5 H 0.0367 0.3486 -0.0381 0.078 Uiso 1 1 calc R U . . .
C6 C 0.17055(16) 0.35325(10) 0.1138(3) 0.0515(6) Uani 1 1 d . . . . .
C7 C 0.17903(16) 0.42349(11) 0.0908(3) 0.0557(6) Uani 1 1 d . . . . .
C8 C 0.24747(15) 0.46619(9) 0.2211(3) 0.0447(5) Uani 1 1 d . . . . .
C9 C 0.26064(16) 0.44046(10) 0.3976(3) 0.0521(6) Uani 1 1 d . . . . .
C10 C 0.21037(15) 0.53805(9) 0.2172(3) 0.0467(5) Uani 1 1 d . . . . .
H10 H 0.1609 0.5430 0.1117 0.056 Uiso 1 1 calc R U . . .
C11 C 0.16456(17) 0.56133(10) 0.3668(3) 0.0498(6) Uani 1 1 d . . . . .
C12 C 0.06407(19) 0.55875(11) 0.3504(4) 0.0698(7) Uani 1 1 d . . . . .
H12 H 0.0268 0.5424 0.2492 0.084 Uiso 1 1 calc R U . . .
C13 C 0.0178(3) 0.58007(15) 0.4814(6) 0.0979(11) Uani 1 1 d . . . . .
H13 H -0.0500 0.5774 0.4683 0.117 Uiso 1 1 calc R U . . .
C14 C 0.0707(4) 0.60493(15) 0.6297(5) 0.1025(12) Uani 1 1 d . . . . .
H14 H 0.0393 0.6197 0.7173 0.123 Uiso 1 1 calc R U . . .
C15 C 0.1707(3) 0.60807(12) 0.6486(3) 0.0845(9) Uani 1 1 d . . . . .
H15 H 0.2074 0.6246 0.7500 0.101 Uiso 1 1 calc R U . . .
C16 C 0.2175(2) 0.58662(11) 0.5171(3) 0.0648(7) Uani 1 1 d . . . . .
H16 H 0.2853 0.5894 0.5307 0.078 Uiso 1 1 calc R U . . .
C17 C 0.30427(16) 0.57096(9) 0.1830(3) 0.0479(5) Uani 1 1 d . . . . .
C18 C 0.38929(16) 0.53361(10) 0.2913(3) 0.0521(6) Uani 1 1 d . . . . .
H18A H 0.3830 0.5264 0.4110 0.062 Uiso 1 1 calc R U . . .
H18B H 0.4540 0.5491 0.2820 0.062 Uiso 1 1 calc R U . . .
C19 C 0.35068(15) 0.47852(10) 0.1654(2) 0.0457(5) Uani 1 1 d . . . . .
C20 C 0.32558(17) 0.53134(10) 0.0264(3) 0.0532(6) Uani 1 1 d . . . . .
H20A H 0.2687 0.5226 -0.0622 0.064 Uiso 1 1 calc R U . . .
H20B H 0.3806 0.5464 -0.0230 0.064 Uiso 1 1 calc R U . . .
C21 C 0.41206(15) 0.42198(10) 0.1394(3) 0.0473(5) Uani 1 1 d . . . . .
C22 C 0.47423(17) 0.39483(11) 0.2773(3) 0.0610(6) Uani 1 1 d . . . . .
H22 H 0.4803 0.4129 0.3871 0.073 Uiso 1 1 calc R U . . .
C23 C 0.52747(18) 0.34094(13) 0.2534(4) 0.0741(8) Uani 1 1 d . . . . .
H23 H 0.5686 0.3227 0.3476 0.089 Uiso 1 1 calc R U . . .
C24 C 0.52051(19) 0.31405(13) 0.0930(4) 0.0772(8) Uani 1 1 d . . . . .
H24 H 0.5563 0.2775 0.0784 0.093 Uiso 1 1 calc R U . . .
C25 C 0.46064(19) 0.34105(12) -0.0461(4) 0.0685(7) Uani 1 1 d . . . . .
H25 H 0.4564 0.3233 -0.1559 0.082 Uiso 1 1 calc R U . . .
C26 C 0.40633(17) 0.39490(10) -0.0231(3) 0.0549(6) Uani 1 1 d . . . . .
H26 H 0.3656 0.4130 -0.1180 0.066 Uiso 1 1 calc R U . . .
C27 C 0.30234(19) 0.64206(11) 0.1835(3) 0.0538(6) Uani 1 1 d . . . . .
C28 C 0.2172(2) 0.73248(12) 0.0530(4) 0.0859(9) Uani 1 1 d . . . . .
H28A H 0.1602 0.7425 -0.0318 0.129 Uiso 1 1 calc R U . . .
H28B H 0.2737 0.7518 0.0199 0.129 Uiso 1 1 calc R U . . .
H28C H 0.2091 0.7486 0.1641 0.129 Uiso 1 1 calc R U . . .
N1 N 0.27305(17) 0.42332(10) 0.5375(3) 0.0761(7) Uani 1 1 d . . . . .
O1 O 0.13199(14) 0.44930(8) -0.0346(2) 0.0894(6) Uani 1 1 d . . . . .
O2 O 0.35570(14) 0.67572(8) 0.2802(2) 0.0757(5) Uani 1 1 d . . . . .
O3 O 0.23006(13) 0.66406(7) 0.0630(2) 0.0688(5) Uani 1 1 d . . . . .


_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
C1 H1 0.9300 . ?
C1 C2 1.381(4) . ?
C1 C6 1.378(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.356(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.362(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.381(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(3) . ?
C6 C7 1.487(3) . ?
C7 C8 1.547(3) . ?
C7 O1 1.205(3) . ?
C8 C9 1.465(3) . ?
C8 C10 1.587(3) . ?
C8 C19 1.594(3) . ?
C9 N1 1.138(3) . ?
C10 H10 0.9800 . ?
C10 C11 1.513(3) . ?
C10 C17 1.541(3) . ?
C11 C12 1.380(3) . ?
C11 C16 1.377(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.381(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.361(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.390(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.537(3) . ?
C17 C20 1.554(3) . ?
C17 C27 1.487(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.548(3) . ?
C19 C20 1.547(3) . ?
C19 C21 1.493(3) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.378(3) . ?
C21 C26 1.384(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.379(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.365(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.368(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.385(3) . ?
C26 H26 0.9300 . ?
C27 O2 1.190(3) . ?
C27 O3 1.330(3) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28 O3 1.442(3) . ?

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 C1 H1 119.8 . . ?
C6 C1 H1 119.8 . . ?
C6 C1 C2 120.5(2) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(3) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(3) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 118.7(2) . . ?
C1 C6 C7 124.3(2) . . ?
C5 C6 C7 116.9(2) . . ?
C6 C7 C8 122.9(2) . . ?
O1 C7 C6 119.9(2) . . ?
O1 C7 C8 117.2(2) . . ?
C7 C8 C10 112.06(17) . . ?
C7 C8 C19 112.86(18) . . ?
C9 C8 C7 111.60(19) . . ?
C9 C8 C10 110.49(17) . . ?
C9 C8 C19 110.70(17) . . ?
C10 C8 C19 98.45(15) . . ?
N1 C9 C8 176.5(2) . . ?
C8 C10 H10 106.9 . . ?
C11 C10 C8 118.08(16) . . ?
C11 C10 H10 106.9 . . ?
C11 C10 C17 118.67(18) . . ?
C17 C10 C8 98.28(17) . . ?
C17 C10 H10 106.9 . . ?
C12 C11 C10 118.4(2) . . ?
C16 C11 C10 123.5(2) . . ?
C16 C11 C12 118.0(2) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 C11 121.1(3) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.5(3) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.3(3) . . ?
C15 C14 H14 120.3 . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 120.7(3) . . ?
C11 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C10 C17 C20 100.85(17) . . ?
C18 C17 C10 105.47(18) . . ?
C18 C17 C20 85.88(17) . . ?
C27 C17 C10 115.46(19) . . ?
C27 C17 C18 121.26(19) . . ?
C27 C17 C20 122.78(18) . . ?
C17 C18 H18A 114.8 . . ?
C17 C18 H18B 114.8 . . ?
C17 C18 C19 83.30(16) . . ?
H18A C18 H18B 111.8 . . ?
C19 C18 H18A 114.8 . . ?
C19 C18 H18B 114.8 . . ?
C18 C19 C8 99.83(16) . . ?
C20 C19 C8 102.09(17) . . ?
C20 C19 C18 85.73(17) . . ?
C21 C19 C8 118.28(17) . . ?
C21 C19 C18 122.41(18) . . ?
C21 C19 C20 122.05(19) . . ?
C17 C20 H20A 114.8 . . ?
C17 C20 H20B 114.8 . . ?
C19 C20 C17 82.81(16) . . ?
C19 C20 H20A 114.8 . . ?
C19 C20 H20B 114.8 . . ?
H20A C20 H20B 111.9 . . ?
C22 C21 C19 120.8(2) . . ?
C22 C21 C26 118.5(2) . . ?
C26 C21 C19 120.74(19) . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 119.6 . . ?
C24 C23 C22 120.8(2) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 H24 120.1 . . ?
C23 C24 C25 119.7(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 119.9(2) . . ?
C26 C25 H25 120.0 . . ?
C21 C26 C25 120.7(2) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
O2 C27 C17 125.7(2) . . ?
O2 C27 O3 123.4(2) . . ?
O3 C27 C17 110.8(2) . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O3 C28 H28A 109.5 . . ?
O3 C28 H28B 109.5 . . ?
O3 C28 H28C 109.5 . . ?
C27 O3 C28 116.86(19) . . ?

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
C1 C2 C3 C4 0.1(4) . . . . ?
C1 C6 C7 C8 -24.9(4) . . . . ?
C1 C6 C7 O1 154.3(2) . . . . ?
C2 C1 C6 C5 0.6(4) . . . . ?
C2 C1 C6 C7 -175.8(2) . . . . ?
C2 C3 C4 C5 0.9(4) . . . . ?
C3 C4 C5 C6 -1.1(4) . . . . ?
C4 C5 C6 C1 0.3(4) . . . . ?
C4 C5 C6 C7 177.0(2) . . . . ?
C5 C6 C7 C8 158.6(2) . . . . ?
C5 C6 C7 O1 -22.1(3) . . . . ?
C6 C1 C2 C3 -0.8(4) . . . . ?
C6 C7 C8 C9 -29.7(3) . . . . ?
C6 C7 C8 C10 -154.2(2) . . . . ?
C6 C7 C8 C19 95.7(2) . . . . ?
C7 C8 C10 C11 106.1(2) . . . . ?
C7 C8 C10 C17 -125.09(19) . . . . ?
C7 C8 C19 C18 166.99(17) . . . . ?
C7 C8 C19 C20 79.3(2) . . . . ?
C7 C8 C19 C21 -57.7(2) . . . . ?
C8 C10 C11 C12 -94.5(2) . . . . ?
C8 C10 C11 C16 87.4(3) . . . . ?
C8 C10 C17 C18 -38.70(19) . . . . ?
C8 C10 C17 C20 49.99(18) . . . . ?
C8 C10 C17 C27 -175.43(18) . . . . ?
C8 C19 C20 C17 64.76(16) . . . . ?
C8 C19 C21 C22 -85.7(2) . . . . ?
C8 C19 C21 C26 93.0(2) . . . . ?
C9 C8 C10 C11 -19.1(2) . . . . ?
C9 C8 C10 C17 109.77(18) . . . . ?
C9 C8 C19 C18 -67.1(2) . . . . ?
C9 C8 C19 C20 -154.80(17) . . . . ?
C9 C8 C19 C21 68.2(2) . . . . ?
C10 C8 C19 C18 48.65(18) . . . . ?
C10 C8 C19 C20 -39.04(18) . . . . ?
C10 C8 C19 C21 -176.04(17) . . . . ?
C10 C11 C12 C13 -179.1(2) . . . . ?
C10 C11 C16 C15 179.0(2) . . . . ?
C10 C17 C18 C19 65.52(18) . . . . ?
C10 C17 C20 C19 -70.30(17) . . . . ?
C10 C17 C27 O2 118.7(3) . . . . ?
C10 C17 C27 O3 -59.5(2) . . . . ?
C11 C10 C17 C18 89.7(2) . . . . ?
C11 C10 C17 C20 178.44(17) . . . . ?
C11 C10 C17 C27 -47.0(3) . . . . ?
C11 C12 C13 C14 0.8(4) . . . . ?
C12 C11 C16 C15 0.8(3) . . . . ?
C12 C13 C14 C15 -0.6(4) . . . . ?
C13 C14 C15 C16 0.6(4) . . . . ?
C14 C15 C16 C11 -0.7(4) . . . . ?
C16 C11 C12 C13 -0.9(3) . . . . ?
C17 C10 C11 C12 147.0(2) . . . . ?
C17 C10 C11 C16 -31.2(3) . . . . ?
C17 C18 C19 C8 -66.76(17) . . . . ?
C17 C18 C19 C20 34.78(16) . . . . ?
C17 C18 C19 C21 160.4(2) . . . . ?
C17 C27 O3 C28 177.79(19) . . . . ?
C18 C17 C20 C19 34.68(15) . . . . ?
C18 C17 C27 O2 -10.7(3) . . . . ?
C18 C17 C27 O3 171.10(19) . . . . ?
C18 C19 C20 C17 -34.40(16) . . . . ?
C18 C19 C21 C22 39.1(3) . . . . ?
C18 C19 C21 C26 -142.2(2) . . . . ?
C19 C8 C10 C11 -134.99(18) . . . . ?
C19 C8 C10 C17 -6.15(17) . . . . ?
C19 C21 C22 C23 177.2(2) . . . . ?
C19 C21 C26 C25 -177.6(2) . . . . ?
C20 C17 C18 C19 -34.60(15) . . . . ?
C20 C17 C27 O2 -117.6(3) . . . . ?
C20 C17 C27 O3 64.2(3) . . . . ?
C20 C19 C21 C22 146.2(2) . . . . ?
C20 C19 C21 C26 -35.1(3) . . . . ?
C21 C19 C20 C17 -160.36(19) . . . . ?
C21 C22 C23 C24 0.8(4) . . . . ?
C22 C21 C26 C25 1.1(3) . . . . ?
C22 C23 C24 C25 0.5(4) . . . . ?
C23 C24 C25 C26 -1.0(4) . . . . ?
C24 C25 C26 C21 0.2(4) . . . . ?
C26 C21 C22 C23 -1.6(3) . . . . ?
C27 C17 C18 C19 -160.9(2) . . . . ?
C27 C17 C20 C19 159.6(2) . . . . ?
O1 C7 C8 C9 151.0(2) . . . . ?
O1 C7 C8 C10 26.5(3) . . . . ?
O1 C7 C8 C19 -83.6(3) . . . . ?
O2 C27 O3 C28 -0.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
