# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_cxy3418_0m
_database_code_depnum_ccdc_archive 'CCDC 2124086'
loop_
_audit_author_name
_audit_author_address
'Gen-Qiang Chen'
;Southern university of science and technology
China
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2022-09-06 downloaded from the CCDC.
;
_audit_creation_date             2021-11-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6405)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H25 N O3'
_chemical_formula_sum            'C24 H25 N O3'
_chemical_formula_weight         375.45
_chemical_absolute_configuration ad
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   7.5504(3)
_cell_length_b                   14.8301(5)
_cell_length_c                   18.2145(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2039.54(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    100
_cell_measurement_theta_max      68.27
_cell_measurement_theta_min      5.70
_shelx_estimated_absorpt_T_max   0.888
_shelx_estimated_absorpt_T_min   0.841
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6920
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1117 before and 0.0461 after correction.
The Ratio of minimum to maximum transmission is 0.9189.
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    1.223
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_av_unetI/netI     0.0136
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            36992
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.297
_diffrn_reflns_theta_min         3.844
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.05550000000000001
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.737
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                3712
_reflns_number_total             3737
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.114
_refine_diff_density_min         -0.143
_refine_diff_density_rms         0.029
_refine_ls_abs_structure_details 
;
 Flack x determined using 1567 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.03(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         3737
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0237
_refine_ls_restrained_S_all      1.084
_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)+(0.0278P)²+0.3516P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0596
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C5(H5), C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2), C3(H3), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24)
2.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C)
2.e Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_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 0.12402(14) 0.53483(8) 0.35174(6) 0.0278(2) Uani 1 1 d . . . . .
H1 H 0.209519 0.555821 0.375796 0.042 Uiso 1 1 calc R U . . .
O2 O 0.32580(15) 0.59689(7) 0.14589(6) 0.0272(2) Uani 1 1 d . . . . .
O3 O 0.60290(15) 0.56641(7) 0.18310(6) 0.0284(2) Uani 1 1 d . . . . .
N1 N 0.44626(16) 0.59680(8) 0.32712(6) 0.0183(2) Uani 1 1 d . . . . .
C1 C 0.0073(2) 0.27512(11) 0.18567(9) 0.0279(3) Uani 1 1 d . . . . .
H1A H -0.025838 0.218616 0.165281 0.033 Uiso 1 1 calc R U . . .
C2 C 0.0801(2) 0.27922(11) 0.25566(9) 0.0267(3) Uani 1 1 d . . . . .
H2 H 0.095452 0.225500 0.283358 0.032 Uiso 1 1 calc R U . . .
C3 C 0.1306(2) 0.36161(10) 0.28522(8) 0.0234(3) Uani 1 1 d . . . . .
H3 H 0.180325 0.364057 0.333087 0.028 Uiso 1 1 calc R U . . .
C4 C 0.10871(19) 0.44058(10) 0.24504(8) 0.0205(3) Uani 1 1 d . . . . .
C5 C 0.17074(19) 0.52972(10) 0.27635(8) 0.0208(3) Uani 1 1 d . . . . .
H5 H 0.112532 0.580210 0.249103 0.025 Uiso 1 1 calc R U . . .
C6 C 0.37549(19) 0.53843(9) 0.26888(7) 0.0189(3) Uani 1 1 d . . . . .
H6 H 0.427059 0.476965 0.276171 0.023 Uiso 1 1 calc R U . . .
C7 C 0.61781(19) 0.56675(10) 0.35711(8) 0.0221(3) Uani 1 1 d . . . . .
H7A H 0.662552 0.612429 0.392137 0.027 Uiso 1 1 calc R U . . .
H7B H 0.704776 0.561306 0.316675 0.027 Uiso 1 1 calc R U . . .
C8 C 0.6007(2) 0.47707(10) 0.39574(8) 0.0223(3) Uani 1 1 d . . . . .
C9 C 0.4904(2) 0.46804(11) 0.45668(8) 0.0272(3) Uani 1 1 d . . . . .
H9 H 0.428058 0.519160 0.474587 0.033 Uiso 1 1 calc R U . . .
C10 C 0.4703(2) 0.38563(12) 0.49151(9) 0.0331(4) Uani 1 1 d . . . . .
H10 H 0.393461 0.380244 0.532576 0.040 Uiso 1 1 calc R U . . .
C11 C 0.5629(3) 0.31094(11) 0.46622(10) 0.0368(4) Uani 1 1 d . . . . .
H11 H 0.550019 0.254369 0.490100 0.044 Uiso 1 1 calc R U . . .
C12 C -0.0168(2) 0.35348(11) 0.14578(9) 0.0285(3) Uani 1 1 d . . . . .
H12 H -0.068153 0.350998 0.098201 0.034 Uiso 1 1 calc R U . . .
C13 C 0.0340(2) 0.43588(10) 0.17536(8) 0.0241(3) Uani 1 1 d . . . . .
H13 H 0.017658 0.489546 0.147699 0.029 Uiso 1 1 calc R U . . .
C14 C 0.4270(2) 0.56967(9) 0.19189(8) 0.0212(3) Uani 1 1 d . . . . .
C15 C 0.6694(3) 0.60244(13) 0.11449(9) 0.0356(4) Uani 1 1 d . . . . .
H15A H 0.619984 0.567912 0.073442 0.053 Uiso 1 1 calc R U . . .
H15B H 0.798893 0.597962 0.113701 0.053 Uiso 1 1 calc R U . . .
H15C H 0.634337 0.665815 0.109911 0.053 Uiso 1 1 calc R U . . .
C16 C 0.4453(2) 0.69345(9) 0.30817(8) 0.0195(3) Uani 1 1 d . . . . .
H16A H 0.337265 0.707188 0.279497 0.023 Uiso 1 1 calc R U . . .
H16B H 0.549121 0.706925 0.276826 0.023 Uiso 1 1 calc R U . . .
C17 C 0.45055(18) 0.75333(9) 0.37534(7) 0.0176(3) Uani 1 1 d . . . . .
C18 C 0.5455(2) 0.83385(9) 0.37350(8) 0.0199(3) Uani 1 1 d . . . . .
H18 H 0.610804 0.849495 0.330780 0.024 Uiso 1 1 calc R U . . .
C19 C 0.5453(2) 0.89154(9) 0.43375(8) 0.0212(3) Uani 1 1 d . . . . .
H19 H 0.610880 0.946175 0.431918 0.025 Uiso 1 1 calc R U . . .
C20 C 0.45020(19) 0.86988(10) 0.49646(8) 0.0211(3) Uani 1 1 d . . . . .
H20 H 0.448849 0.909761 0.537265 0.025 Uiso 1 1 calc R U . . .
C21 C 0.35680(19) 0.78909(10) 0.49891(8) 0.0201(3) Uani 1 1 d . . . . .
H21 H 0.292339 0.773316 0.541821 0.024 Uiso 1 1 calc R U . . .
C22 C 0.35746(19) 0.73159(9) 0.43901(8) 0.0193(3) Uani 1 1 d . . . . .
H22 H 0.293520 0.676496 0.441349 0.023 Uiso 1 1 calc R U . . .
C23 C 0.6736(3) 0.31910(12) 0.40631(11) 0.0382(4) Uani 1 1 d . . . . .
H23 H 0.737290 0.268075 0.389091 0.046 Uiso 1 1 calc R U . . .
C24 C 0.6923(2) 0.40179(11) 0.37100(9) 0.0298(4) Uani 1 1 d . . . . .
H24 H 0.768298 0.406748 0.329642 0.036 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 H1 0.8400 . ?
O1 C5 1.4198(17) . ?
O2 C14 1.2037(18) . ?
O3 C14 1.3386(19) . ?
O3 C15 1.4490(19) . ?
N1 C6 1.4698(18) . ?
N1 C7 1.4747(19) . ?
N1 C16 1.4744(17) . ?
C1 H1A 0.9500 . ?
C1 C2 1.390(2) . ?
C1 C12 1.383(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(2) . ?
C4 C5 1.514(2) . ?
C4 C13 1.390(2) . ?
C5 H5 1.0000 . ?
C5 C6 1.557(2) . ?
C6 H6 1.0000 . ?
C6 C14 1.5272(19) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.510(2) . ?
C8 C9 1.394(2) . ?
C8 C24 1.388(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.385(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.388(3) . ?
C11 H11 0.9500 . ?
C11 C23 1.380(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.390(2) . ?
C13 H13 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.5123(19) . ?
C17 C18 1.393(2) . ?
C17 C22 1.394(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.392(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.387(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.391(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.385(2) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.392(2) . ?
C24 H24 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
C5 O1 H1 109.5 . . ?
C14 O3 C15 115.70(13) . . ?
C6 N1 C7 114.12(11) . . ?
C6 N1 C16 113.70(11) . . ?
C16 N1 C7 112.62(11) . . ?
C2 C1 H1A 120.1 . . ?
C12 C1 H1A 120.1 . . ?
C12 C1 C2 119.83(14) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.18(15) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.29(14) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 120.01(13) . . ?
C13 C4 C3 119.10(13) . . ?
C13 C4 C5 120.86(13) . . ?
O1 C5 C4 109.52(12) . . ?
O1 C5 H5 109.3 . . ?
O1 C5 C6 109.07(11) . . ?
C4 C5 H5 109.3 . . ?
C4 C5 C6 110.27(12) . . ?
C6 C5 H5 109.3 . . ?
N1 C6 C5 110.28(11) . . ?
N1 C6 H6 107.4 . . ?
N1 C6 C14 113.05(11) . . ?
C5 C6 H6 107.4 . . ?
C14 C6 C5 110.99(12) . . ?
C14 C6 H6 107.4 . . ?
N1 C7 H7A 109.4 . . ?
N1 C7 H7B 109.4 . . ?
N1 C7 C8 111.32(12) . . ?
H7A C7 H7B 108.0 . . ?
C8 C7 H7A 109.4 . . ?
C8 C7 H7B 109.4 . . ?
C9 C8 C7 120.44(13) . . ?
C24 C8 C7 120.96(14) . . ?
C24 C8 C9 118.60(15) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 120.97(15) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.79(16) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 120.1 . . ?
C23 C11 C10 119.82(16) . . ?
C23 C11 H11 120.1 . . ?
C1 C12 H12 120.0 . . ?
C1 C12 C13 119.93(14) . . ?
C13 C12 H12 120.0 . . ?
C4 C13 H13 119.7 . . ?
C12 C13 C4 120.66(14) . . ?
C12 C13 H13 119.7 . . ?
O2 C14 O3 123.96(14) . . ?
O2 C14 C6 125.40(13) . . ?
O3 C14 C6 110.58(12) . . ?
O3 C15 H15A 109.5 . . ?
O3 C15 H15B 109.5 . . ?
O3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C16 H16A 109.1 . . ?
N1 C16 H16B 109.1 . . ?
N1 C16 C17 112.42(11) . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 H16A 109.1 . . ?
C17 C16 H16B 109.1 . . ?
C18 C17 C16 119.82(12) . . ?
C18 C17 C22 118.54(13) . . ?
C22 C17 C16 121.61(12) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.50(13) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.49(13) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 120.4 . . ?
C19 C20 C21 119.25(13) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.22(13) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 119.5 . . ?
C21 C22 C17 120.99(13) . . ?
C21 C22 H22 119.5 . . ?
C11 C23 H23 119.9 . . ?
C11 C23 C24 120.27(17) . . ?
C24 C23 H23 119.9 . . ?
C8 C24 C23 120.53(16) . . ?
C8 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?

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 C5 C6 N1 -31.92(16) . . . . ?
O1 C5 C6 C14 -157.99(11) . . . . ?
N1 C6 C14 O2 -114.33(15) . . . . ?
N1 C6 C14 O3 63.03(15) . . . . ?
N1 C7 C8 C9 -61.35(17) . . . . ?
N1 C7 C8 C24 117.84(15) . . . . ?
N1 C16 C17 C18 143.76(13) . . . . ?
N1 C16 C17 C22 -38.38(18) . . . . ?
C1 C2 C3 C4 0.0(2) . . . . ?
C1 C12 C13 C4 -0.2(2) . . . . ?
C2 C1 C12 C13 0.9(2) . . . . ?
C2 C3 C4 C5 -177.56(14) . . . . ?
C2 C3 C4 C13 0.7(2) . . . . ?
C3 C4 C5 O1 -42.52(18) . . . . ?
C3 C4 C5 C6 77.51(16) . . . . ?
C3 C4 C13 C12 -0.5(2) . . . . ?
C4 C5 C6 N1 -152.22(12) . . . . ?
C4 C5 C6 C14 81.71(14) . . . . ?
C5 C4 C13 C12 177.67(14) . . . . ?
C5 C6 C14 O2 10.19(19) . . . . ?
C5 C6 C14 O3 -172.45(11) . . . . ?
C6 N1 C7 C8 -64.80(15) . . . . ?
C6 N1 C16 C17 158.21(12) . . . . ?
C7 N1 C6 C5 141.81(12) . . . . ?
C7 N1 C6 C14 -93.28(14) . . . . ?
C7 N1 C16 C17 -70.00(15) . . . . ?
C7 C8 C9 C10 178.44(14) . . . . ?
C7 C8 C24 C23 -179.03(15) . . . . ?
C8 C9 C10 C11 0.9(2) . . . . ?
C9 C8 C24 C23 0.2(2) . . . . ?
C9 C10 C11 C23 -0.3(3) . . . . ?
C10 C11 C23 C24 -0.2(3) . . . . ?
C11 C23 C24 C8 0.3(3) . . . . ?
C12 C1 C2 C3 -0.8(2) . . . . ?
C13 C4 C5 O1 139.30(14) . . . . ?
C13 C4 C5 C6 -100.67(16) . . . . ?
C15 O3 C14 O2 2.9(2) . . . . ?
C15 O3 C14 C6 -174.48(12) . . . . ?
C16 N1 C6 C5 -87.13(14) . . . . ?
C16 N1 C6 C14 37.77(16) . . . . ?
C16 N1 C7 C8 163.62(11) . . . . ?
C16 C17 C18 C19 177.23(13) . . . . ?
C16 C17 C22 C21 -176.98(13) . . . . ?
C17 C18 C19 C20 -0.2(2) . . . . ?
C18 C17 C22 C21 0.9(2) . . . . ?
C18 C19 C20 C21 0.9(2) . . . . ?
C19 C20 C21 C22 -0.7(2) . . . . ?
C20 C21 C22 C17 -0.2(2) . . . . ?
C22 C17 C18 C19 -0.7(2) . . . . ?
C24 C8 C9 C10 -0.8(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
