# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_a
_audit_block_doi                 10.5517/ccdc.csd.cc2fzmwy
_database_code_depnum_ccdc_archive 'CCDC 2263771'
loop_
_audit_author_name
_audit_author_address
'Wei Minghui'
;Nanjing Tech University
China
;
_audit_update_record             
;
2023-05-18 deposited with the CCDC.	2023-11-13 downloaded from the CCDC.
;
_audit_creation_date             2023-05-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H26 N2 O'
_chemical_formula_sum            'C28 H26 N2 O'
_chemical_formula_weight         406.51
_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                   11.9263(8)
_cell_length_b                   17.9508(11)
_cell_length_c                   10.8524(8)
_cell_angle_alpha                90
_cell_angle_beta                 106.642(2)
_cell_angle_gamma                90
_cell_volume                     2226.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4681
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      26.74
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.990
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6944
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1435 before and 0.0573 after correction.
The Ratio of minimum to maximum transmission is 0.9313.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            21000
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_min         2.264
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON 100'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON 100'
_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                3348
_reflns_number_total             5107
_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       'APEX4 V2022.10-1 (Bruker, 2022)'
_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         0.229
_refine_diff_density_min         -0.196
_refine_diff_density_rms         0.044
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         5107
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0573
_refine_ls_restrained_S_all      1.029
_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)+(0.0391P)²+1.2380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1354
_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:
 C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C3(H3), C18(H18), C6(H6), C19(H19), C7(H7), C22(H22), C9(H9),
 C24(H24), C20(H20), C21(H21), C28(H28), C25(H25), C26(H26), C27(H27)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C12(H12A,H12B,H12C), C11(H11A,H11B,H11C)
;
_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 0.88114(13) 0.51745(9) 0.61714(14) 0.0490(4) Uani 1 1 d . . . . .
N2 N 0.73675(13) 0.64527(9) 0.24984(15) 0.0289(4) Uani 1 1 d . . . . .
N1 N 0.80141(13) 0.58400(9) 0.43889(15) 0.0286(4) Uani 1 1 d . . . . .
C14 C 0.72127(15) 0.63311(10) 0.35955(18) 0.0265(4) Uani 1 1 d . . . . .
C16 C 0.84022(16) 0.60088(10) 0.24114(18) 0.0274(4) Uani 1 1 d . . . . .
C5 C 0.54998(16) 0.72302(10) 0.33837(19) 0.0285(4) Uani 1 1 d . . . . .
C15 C 0.89001(16) 0.56459(12) 0.37617(18) 0.0316(4) Uani 1 1 d . . . . .
H15A H 0.897508 0.509919 0.369555 0.038 Uiso 1 1 calc R U . . .
H15B H 0.967153 0.585890 0.422451 0.038 Uiso 1 1 calc R U . . .
C23 C 0.92419(17) 0.65360(10) 0.20091(19) 0.0297(4) Uani 1 1 d . . . . .
C17 C 0.80248(16) 0.54018(10) 0.13854(18) 0.0287(4) Uani 1 1 d . . . . .
C4 C 0.48339(16) 0.71147(11) 0.21194(19) 0.0308(4) Uani 1 1 d . . . . .
H4 H 0.492658 0.666718 0.169158 0.037 Uiso 1 1 calc R U . . .
C8 C 0.63277(16) 0.66623(11) 0.41279(19) 0.0306(4) Uani 1 1 d . . . . .
C3 C 0.40366(17) 0.76456(11) 0.1477(2) 0.0341(5) Uani 1 1 d . . . . .
H3 H 0.357797 0.755238 0.061912 0.041 Uiso 1 1 calc R U . . .
C13 C 0.80568(17) 0.56119(12) 0.55951(19) 0.0337(5) Uani 1 1 d . . . . .
C18 C 0.68827(17) 0.53213(11) 0.06303(19) 0.0336(5) Uani 1 1 d . . . . .
H18 H 0.629558 0.565091 0.074011 0.040 Uiso 1 1 calc R U . . .
C2 C 0.38960(17) 0.83137(11) 0.2068(2) 0.0361(5) Uani 1 1 d . . . . .
C6 C 0.53491(18) 0.78934(11) 0.3976(2) 0.0362(5) Uani 1 1 d . . . . .
H6 H 0.579558 0.798298 0.483988 0.043 Uiso 1 1 calc R U . . .
C19 C 0.65877(19) 0.47600(12) -0.0290(2) 0.0401(5) Uani 1 1 d . . . . .
H19 H 0.580041 0.471083 -0.080727 0.048 Uiso 1 1 calc R U . . .
C7 C 0.45613(18) 0.84248(12) 0.3330(2) 0.0391(5) Uani 1 1 d . . . . .
H7 H 0.447351 0.887351 0.375745 0.047 Uiso 1 1 calc R U . . .
C22 C 0.88683(19) 0.49153(12) 0.1201(2) 0.0405(5) Uani 1 1 d . . . . .
H22 H 0.965884 0.496756 0.170716 0.049 Uiso 1 1 calc R U . . .
C9 C 0.63311(18) 0.64609(12) 0.5311(2) 0.0408(5) Uani 1 1 d . . . . .
H9 H 0.576043 0.668925 0.564404 0.049 Uiso 1 1 calc R U . . .
C24 C 0.88046(19) 0.69384(12) 0.0876(2) 0.0436(6) Uani 1 1 d . . . . .
H24 H 0.800090 0.689179 0.041251 0.052 Uiso 1 1 calc R U . . .
C10 C 0.71367(19) 0.59134(13) 0.6176(2) 0.0390(5) Uani 1 1 d . . . . .
C20 C 0.7422(2) 0.42772(12) -0.0458(2) 0.0419(5) Uani 1 1 d . . . . .
H20 H 0.721472 0.389214 -0.108289 0.050 Uiso 1 1 calc R U . . .
C1 C 0.30400(19) 0.89146(12) 0.1339(3) 0.0506(7) Uani 1 1 d . . . . .
H1A H 0.278420 0.879280 0.042096 0.076 Uiso 1 1 calc R U . . .
H1B H 0.343210 0.940018 0.146143 0.076 Uiso 1 1 calc R U . . .
H1C H 0.235851 0.893365 0.167240 0.076 Uiso 1 1 calc R U . . .
C21 C 0.8570(2) 0.43554(13) 0.0289(2) 0.0474(6) Uani 1 1 d . . . . .
H21 H 0.915350 0.402412 0.017618 0.057 Uiso 1 1 calc R U . . .
C28 C 1.04147(19) 0.66055(14) 0.2651(2) 0.0459(6) Uani 1 1 d . . . . .
H28 H 1.074096 0.632593 0.341290 0.055 Uiso 1 1 calc R U . . .
C25 C 0.9510(2) 0.74032(13) 0.0409(3) 0.0531(7) Uani 1 1 d . . . . .
H25 H 0.919567 0.766798 -0.037157 0.064 Uiso 1 1 calc R U . . .
C12 C 0.7762(2) 0.62939(15) 0.7456(2) 0.0580(7) Uani 1 1 d . . . . .
H12A H 0.827381 0.593348 0.802975 0.087 Uiso 1 1 calc R U . . .
H12B H 0.718017 0.648027 0.786034 0.087 Uiso 1 1 calc R U . . .
H12C H 0.823232 0.671082 0.729603 0.087 Uiso 1 1 calc R U . . .
C26 C 1.0669(2) 0.74804(14) 0.1080(3) 0.0575(7) Uani 1 1 d . . . . .
H26 H 1.115488 0.780900 0.077622 0.069 Uiso 1 1 calc R U . . .
C11 C 0.6422(2) 0.52494(14) 0.6425(3) 0.0559(7) Uani 1 1 d . . . . .
H11A H 0.603479 0.500320 0.560767 0.084 Uiso 1 1 calc R U . . .
H11B H 0.583102 0.542561 0.682429 0.084 Uiso 1 1 calc R U . . .
H11C H 0.694427 0.489498 0.700092 0.084 Uiso 1 1 calc R U . . .
C27 C 1.1125(2) 0.70815(16) 0.2193(3) 0.0626(8) Uani 1 1 d . . . . .
H27 H 1.192962 0.713121 0.265159 0.075 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 C13 1.223(2) . ?
N2 C14 1.275(2) . ?
N2 C16 1.494(2) . ?
N1 C14 1.400(2) . ?
N1 C15 1.454(2) . ?
N1 C13 1.359(2) . ?
C14 C8 1.467(3) . ?
C16 C15 1.558(3) . ?
C16 C23 1.530(3) . ?
C16 C17 1.530(3) . ?
C5 C4 1.390(3) . ?
C5 C8 1.486(3) . ?
C5 C6 1.389(3) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C23 C24 1.392(3) . ?
C23 C28 1.378(3) . ?
C17 C18 1.381(3) . ?
C17 C22 1.389(3) . ?
C4 H4 0.9500 . ?
C4 C3 1.385(3) . ?
C8 C9 1.333(3) . ?
C3 H3 0.9500 . ?
C3 C2 1.392(3) . ?
C13 C10 1.514(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.391(3) . ?
C2 C7 1.387(3) . ?
C2 C1 1.539(3) . ?
C6 H6 0.9500 . ?
C6 C7 1.381(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.371(3) . ?
C7 H7 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.384(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.501(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.380(3) . ?
C10 C12 1.536(3) . ?
C10 C11 1.533(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.384(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C21 H21 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.392(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.372(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C26 H26 0.9500 . ?
C26 C27 1.375(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C27 H27 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
C14 N2 C16 108.11(15) . . ?
C14 N1 C15 108.82(15) . . ?
C13 N1 C14 127.80(16) . . ?
C13 N1 C15 123.18(16) . . ?
N2 C14 N1 115.23(16) . . ?
N2 C14 C8 127.70(17) . . ?
N1 C14 C8 117.03(16) . . ?
N2 C16 C15 105.23(15) . . ?
N2 C16 C23 107.95(15) . . ?
N2 C16 C17 110.45(15) . . ?
C23 C16 C15 115.02(16) . . ?
C23 C16 C17 108.24(15) . . ?
C17 C16 C15 109.89(15) . . ?
C4 C5 C8 122.47(17) . . ?
C6 C5 C4 118.14(18) . . ?
C6 C5 C8 119.36(18) . . ?
N1 C15 C16 102.00(14) . . ?
N1 C15 H15A 111.4 . . ?
N1 C15 H15B 111.4 . . ?
C16 C15 H15A 111.4 . . ?
C16 C15 H15B 111.4 . . ?
H15A C15 H15B 109.2 . . ?
C24 C23 C16 117.57(17) . . ?
C28 C23 C16 124.36(19) . . ?
C28 C23 C24 117.95(19) . . ?
C18 C17 C16 122.73(17) . . ?
C18 C17 C22 118.72(19) . . ?
C22 C17 C16 118.55(17) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.65(19) . . ?
C3 C4 H4 119.7 . . ?
C14 C8 C5 120.33(17) . . ?
C9 C8 C14 117.75(18) . . ?
C9 C8 C5 121.85(18) . . ?
C4 C3 H3 119.4 . . ?
C4 C3 C2 121.1(2) . . ?
C2 C3 H3 119.4 . . ?
O1 C13 N1 120.35(18) . . ?
O1 C13 C10 122.11(18) . . ?
N1 C13 C10 117.53(17) . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.4(2) . . ?
C19 C18 H18 119.8 . . ?
C3 C2 C1 121.1(2) . . ?
C7 C2 C3 117.93(18) . . ?
C7 C2 C1 120.9(2) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 C5 121.1(2) . . ?
C7 C6 H6 119.4 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.6(2) . . ?
C20 C19 H19 119.7 . . ?
C2 C7 H7 119.5 . . ?
C6 C7 C2 121.0(2) . . ?
C6 C7 H7 119.5 . . ?
C17 C22 H22 119.6 . . ?
C21 C22 C17 120.7(2) . . ?
C21 C22 H22 119.6 . . ?
C8 C9 H9 116.4 . . ?
C8 C9 C10 127.23(19) . . ?
C10 C9 H9 116.4 . . ?
C23 C24 H24 119.2 . . ?
C25 C24 C23 121.6(2) . . ?
C25 C24 H24 119.2 . . ?
C13 C10 C12 108.27(18) . . ?
C13 C10 C11 107.52(18) . . ?
C9 C10 C13 112.57(17) . . ?
C9 C10 C12 109.43(19) . . ?
C9 C10 C11 109.30(19) . . ?
C11 C10 C12 109.7(2) . . ?
C19 C20 H20 120.3 . . ?
C19 C20 C21 119.5(2) . . ?
C21 C20 H20 120.3 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C22 C21 H21 119.9 . . ?
C20 C21 C22 120.1(2) . . ?
C20 C21 H21 119.9 . . ?
C23 C28 H28 119.7 . . ?
C23 C28 C27 120.6(2) . . ?
C27 C28 H28 119.7 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.6(2) . . ?
C26 C25 H25 120.2 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 119.9(2) . . ?
C27 C26 H26 120.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C28 C27 H27 119.8 . . ?
C26 C27 C28 120.3(2) . . ?
C26 C27 H27 119.8 . . ?

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 C13 C10 C9 178.0(2) . . . . ?
O1 C13 C10 C12 56.9(3) . . . . ?
O1 C13 C10 C11 -61.6(3) . . . . ?
N2 C14 C8 C5 -2.2(3) . . . . ?
N2 C14 C8 C9 -179.2(2) . . . . ?
N2 C16 C15 N1 7.31(19) . . . . ?
N2 C16 C23 C24 -56.1(2) . . . . ?
N2 C16 C23 C28 127.9(2) . . . . ?
N2 C16 C17 C18 2.7(3) . . . . ?
N2 C16 C17 C22 -177.74(18) . . . . ?
N1 C14 C8 C5 175.59(17) . . . . ?
N1 C14 C8 C9 -1.5(3) . . . . ?
N1 C13 C10 C9 -2.6(3) . . . . ?
N1 C13 C10 C12 -123.7(2) . . . . ?
N1 C13 C10 C11 117.9(2) . . . . ?
C14 N2 C16 C15 -4.9(2) . . . . ?
C14 N2 C16 C23 -128.15(17) . . . . ?
C14 N2 C16 C17 113.70(18) . . . . ?
C14 N1 C15 C16 -7.4(2) . . . . ?
C14 N1 C13 O1 179.65(19) . . . . ?
C14 N1 C13 C10 0.2(3) . . . . ?
C14 C8 C9 C10 -1.2(3) . . . . ?
C16 N2 C14 N1 0.1(2) . . . . ?
C16 N2 C14 C8 177.90(18) . . . . ?
C16 C23 C24 C25 -177.2(2) . . . . ?
C16 C23 C28 C27 177.8(2) . . . . ?
C16 C17 C18 C19 179.91(18) . . . . ?
C16 C17 C22 C21 179.7(2) . . . . ?
C5 C4 C3 C2 1.3(3) . . . . ?
C5 C8 C9 C10 -178.2(2) . . . . ?
C5 C6 C7 C2 -0.1(3) . . . . ?
C15 N1 C14 N2 5.1(2) . . . . ?
C15 N1 C14 C8 -172.93(16) . . . . ?
C15 N1 C13 O1 -6.1(3) . . . . ?
C15 N1 C13 C10 174.48(19) . . . . ?
C15 C16 C23 C24 -173.21(17) . . . . ?
C15 C16 C23 C28 10.8(3) . . . . ?
C15 C16 C17 C18 118.4(2) . . . . ?
C15 C16 C17 C22 -62.1(2) . . . . ?
C23 C16 C15 N1 125.97(17) . . . . ?
C23 C16 C17 C18 -115.3(2) . . . . ?
C23 C16 C17 C22 64.3(2) . . . . ?
C23 C24 C25 C26 -0.8(4) . . . . ?
C23 C28 C27 C26 -1.1(4) . . . . ?
C17 C16 C15 N1 -111.61(17) . . . . ?
C17 C16 C23 C24 63.5(2) . . . . ?
C17 C16 C23 C28 -112.5(2) . . . . ?
C17 C18 C19 C20 0.3(3) . . . . ?
C17 C22 C21 C20 0.4(4) . . . . ?
C4 C5 C8 C14 52.0(3) . . . . ?
C4 C5 C8 C9 -131.0(2) . . . . ?
C4 C5 C6 C7 0.0(3) . . . . ?
C4 C3 C2 C7 -1.4(3) . . . . ?
C4 C3 C2 C1 177.95(19) . . . . ?
C8 C5 C4 C3 177.30(18) . . . . ?
C8 C5 C6 C7 -177.94(19) . . . . ?
C8 C9 C10 C13 3.2(3) . . . . ?
C8 C9 C10 C12 123.7(3) . . . . ?
C8 C9 C10 C11 -116.2(3) . . . . ?
C3 C2 C7 C6 0.8(3) . . . . ?
C13 N1 C14 N2 -179.96(19) . . . . ?
C13 N1 C14 C8 2.0(3) . . . . ?
C13 N1 C15 C16 177.36(17) . . . . ?
C18 C17 C22 C21 -0.7(3) . . . . ?
C18 C19 C20 C21 -0.6(3) . . . . ?
C6 C5 C4 C3 -0.5(3) . . . . ?
C6 C5 C8 C14 -130.2(2) . . . . ?
C6 C5 C8 C9 46.8(3) . . . . ?
C19 C20 C21 C22 0.2(4) . . . . ?
C22 C17 C18 C19 0.3(3) . . . . ?
C24 C23 C28 C27 1.9(3) . . . . ?
C24 C25 C26 C27 1.6(4) . . . . ?
C1 C2 C7 C6 -178.5(2) . . . . ?
C28 C23 C24 C25 -1.0(3) . . . . ?
C25 C26 C27 C28 -0.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
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