# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_cxy1625_0m
_database_code_depnum_ccdc_archive 'CCDC 2079259'
loop_
_audit_author_name
_audit_author_address
'Xiao-Yong Chang'
;Southern Univeristy of Science and Technology
China
;
_audit_update_record             
;
2021-04-21 deposited with the CCDC.	2024-03-27 downloaded from the CCDC.
;
_audit_creation_date             2021-03-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H21 N O6'
_chemical_formula_sum            'C18 H21 N O6'
_chemical_formula_weight         347.36
_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                   11.5445(6)
_cell_length_b                   11.4051(6)
_cell_length_c                   12.9631(7)
_cell_angle_alpha                90
_cell_angle_beta                 93.189(2)
_cell_angle_gamma                90
_cell_volume                     1704.16(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9883
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1214 before and 0.0546 after correction.
The Ratio of minimum to maximum transmission is 0.9480.
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    1.354
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            32019
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.524
_diffrn_reflns_theta_min         2.380
_diffrn_ambient_temperature      100
_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 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_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                3120
_reflns_number_total             3913
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.237
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       0.0097(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         3913
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0363
_refine_ls_restrained_S_all      1.041
_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)+(0.0450P)²+0.7766P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0971
_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:
 C6(H6), C10(H10), C11(H11), C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C8(H8A,H8B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2A), C15(H15), C16(H16)
2.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C18(H18A,H18B,H18C)
2.e Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_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 0.71757(8) 0.32965(9) 0.55165(7) 0.0176(2) Uani 1 1 d . . . . .
O2 O 0.59133(8) 0.62598(8) 0.86080(7) 0.0143(2) Uani 1 1 d . . . . .
H2 H 0.577092 0.698148 0.857483 0.021 Uiso 1 1 calc R U . . .
O3 O 0.43549(8) 0.61388(8) 0.75043(8) 0.0187(2) Uani 1 1 d . . . . .
O4 O 0.81723(8) 0.44209(9) 0.79433(7) 0.0186(2) Uani 1 1 d . . . . .
O5 O 0.72773(8) 0.55579(8) 0.67296(7) 0.0143(2) Uani 1 1 d . . . . .
O6 O 0.54602(9) 0.26129(9) 0.48665(7) 0.0217(2) Uani 1 1 d . . . . .
N1 N 0.43511(9) 0.34996(9) 0.65687(7) 0.0103(2) Uani 1 1 d . . . . .
C1 C 0.09145(12) 0.45317(13) 0.87733(11) 0.0199(3) Uani 1 1 d . . . . .
H1 H 0.017468 0.472105 0.901347 0.024 Uiso 1 1 calc R U . . .
C2 C 0.10338(12) 0.42870(12) 0.77342(11) 0.0175(3) Uani 1 1 d . . . . .
H2A H 0.037034 0.430872 0.726696 0.021 Uiso 1 1 calc R U . . .
C3 C 0.21126(11) 0.40103(12) 0.73680(10) 0.0141(3) Uani 1 1 d . . . . .
C4 C 0.22459(11) 0.37145(12) 0.62467(10) 0.0156(3) Uani 1 1 d . . . . .
H4A H 0.163499 0.411752 0.581344 0.019 Uiso 1 1 calc R U . . .
H4B H 0.215183 0.285908 0.614279 0.019 Uiso 1 1 calc R U . . .
C5 C 0.34301(11) 0.40912(12) 0.59205(9) 0.0134(3) Uani 1 1 d . . . . .
H5A H 0.351052 0.388744 0.518563 0.016 Uiso 1 1 calc R U . . .
H5B H 0.351117 0.495181 0.599382 0.016 Uiso 1 1 calc R U . . .
C6 C 0.55180(11) 0.39244(11) 0.63248(9) 0.0110(3) Uani 1 1 d . . . . .
H6 H 0.544054 0.474779 0.606485 0.013 Uiso 1 1 calc R U . . .
C7 C 0.60259(11) 0.31827(11) 0.54887(9) 0.0136(3) Uani 1 1 d . . . . .
C8 C 0.77615(13) 0.26904(14) 0.46986(11) 0.0229(3) Uani 1 1 d . . . . .
H8A H 0.749563 0.300246 0.401315 0.027 Uiso 1 1 calc R U . . .
H8B H 0.759155 0.183999 0.471434 0.027 Uiso 1 1 calc R U . . .
C9 C 0.90337(14) 0.29016(18) 0.48959(16) 0.0400(5) Uani 1 1 d . . . . .
H9A H 0.918804 0.374629 0.488527 0.060 Uiso 1 1 calc R U . . .
H9B H 0.946024 0.251498 0.435848 0.060 Uiso 1 1 calc R U . . .
H9C H 0.928609 0.258171 0.557323 0.060 Uiso 1 1 calc R U . . .
C10 C 0.62259(11) 0.39458(11) 0.73602(9) 0.0113(3) Uani 1 1 d . . . . .
H10 H 0.643372 0.311827 0.754610 0.014 Uiso 1 1 calc R U . . .
C11 C 0.53119(11) 0.43685(11) 0.81091(9) 0.0105(3) Uani 1 1 d . . . . .
H11 H 0.555776 0.414189 0.883367 0.013 Uiso 1 1 calc R U . . .
C12 C 0.51311(11) 0.56880(11) 0.80419(9) 0.0114(3) Uani 1 1 d . . . . .
C13 C 0.42651(11) 0.36282(11) 0.77242(9) 0.0103(3) Uani 1 1 d . . . . .
H13 H 0.440280 0.282709 0.801968 0.012 Uiso 1 1 calc R U . . .
C14 C 0.30870(11) 0.39973(11) 0.80549(10) 0.0119(3) Uani 1 1 d . . . . .
C15 C 0.18825(12) 0.44980(13) 0.94589(10) 0.0191(3) Uani 1 1 d . . . . .
H15 H 0.180559 0.465593 1.017141 0.023 Uiso 1 1 calc R U . . .
C16 C 0.29615(12) 0.42332(12) 0.91006(10) 0.0153(3) Uani 1 1 d . . . . .
H16 H 0.362231 0.421199 0.957088 0.018 Uiso 1 1 calc R U . . .
C17 C 0.73331(11) 0.46498(11) 0.73872(9) 0.0124(3) Uani 1 1 d . . . . .
C18 C 0.83303(12) 0.62387(12) 0.66959(11) 0.0188(3) Uani 1 1 d . . . . .
H18A H 0.858018 0.648921 0.739647 0.028 Uiso 1 1 calc R U . . .
H18B H 0.818577 0.693011 0.625863 0.028 Uiso 1 1 calc R U . . .
H18C H 0.893912 0.575859 0.640976 0.028 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 C7 1.3323(16) . ?
O1 C8 1.4625(16) . ?
O2 H2 0.8400 . ?
O2 C12 1.3060(15) . ?
O3 C12 1.2180(15) . ?
O4 C17 1.2036(15) . ?
O5 C17 1.3406(15) . ?
O5 C18 1.4452(16) . ?
O6 C7 1.2003(16) . ?
N1 C5 1.4806(15) . ?
N1 C6 1.4822(16) . ?
N1 C13 1.5138(15) . ?
C1 H1 0.9500 . ?
C1 C2 1.3899(19) . ?
C1 C15 1.3892(19) . ?
C2 H2A 0.9500 . ?
C2 C3 1.3935(19) . ?
C3 C4 1.5084(18) . ?
C3 C14 1.3953(18) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.5155(18) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6 1.0000 . ?
C6 C7 1.5182(17) . ?
C6 C10 1.5323(17) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.496(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.5499(17) . ?
C10 C17 1.5083(18) . ?
C11 H11 1.0000 . ?
C11 C12 1.5211(18) . ?
C11 C13 1.5346(17) . ?
C13 H13 1.0000 . ?
C13 C14 1.5086(18) . ?
C14 C16 1.3973(18) . ?
C15 H15 0.9500 . ?
C15 C16 1.3867(19) . ?
C16 H16 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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
C7 O1 C8 115.76(10) . . ?
C12 O2 H2 109.5 . . ?
C17 O5 C18 115.06(10) . . ?
C5 N1 C6 111.25(10) . . ?
C5 N1 C13 115.65(10) . . ?
C6 N1 C13 106.85(9) . . ?
C2 C1 H1 120.2 . . ?
C15 C1 H1 120.2 . . ?
C15 C1 C2 119.66(13) . . ?
C1 C2 H2A 119.5 . . ?
C1 C2 C3 120.95(12) . . ?
C3 C2 H2A 119.5 . . ?
C2 C3 C4 121.33(12) . . ?
C2 C3 C14 119.28(12) . . ?
C14 C3 C4 119.39(12) . . ?
C3 C4 H4A 109.6 . . ?
C3 C4 H4B 109.6 . . ?
C3 C4 C5 110.33(10) . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
N1 C5 C4 110.05(10) . . ?
N1 C5 H5A 109.6 . . ?
N1 C5 H5B 109.6 . . ?
C4 C5 H5A 109.6 . . ?
C4 C5 H5B 109.6 . . ?
H5A C5 H5B 108.2 . . ?
N1 C6 H6 108.3 . . ?
N1 C6 C7 111.21(10) . . ?
N1 C6 C10 105.37(9) . . ?
C7 C6 H6 108.3 . . ?
C7 C6 C10 115.21(10) . . ?
C10 C6 H6 108.3 . . ?
O1 C7 C6 110.50(10) . . ?
O6 C7 O1 125.09(12) . . ?
O6 C7 C6 124.34(12) . . ?
O1 C8 H8A 110.4 . . ?
O1 C8 H8B 110.4 . . ?
O1 C8 C9 106.80(12) . . ?
H8A C8 H8B 108.6 . . ?
C9 C8 H8A 110.4 . . ?
C9 C8 H8B 110.4 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10 107.8 . . ?
C6 C10 C11 101.83(10) . . ?
C11 C10 H10 107.8 . . ?
C17 C10 C6 116.03(10) . . ?
C17 C10 H10 107.8 . . ?
C17 C10 C11 115.18(10) . . ?
C10 C11 H11 109.9 . . ?
C12 C11 C10 111.59(10) . . ?
C12 C11 H11 109.9 . . ?
C12 C11 C13 115.00(10) . . ?
C13 C11 C10 100.16(9) . . ?
C13 C11 H11 109.9 . . ?
O2 C12 C11 111.93(10) . . ?
O3 C12 O2 125.06(12) . . ?
O3 C12 C11 123.00(11) . . ?
N1 C13 C11 106.33(9) . . ?
N1 C13 H13 105.8 . . ?
C11 C13 H13 105.8 . . ?
C14 C13 N1 114.71(10) . . ?
C14 C13 C11 117.40(10) . . ?
C14 C13 H13 105.8 . . ?
C3 C14 C13 121.95(11) . . ?
C3 C14 C16 119.58(12) . . ?
C16 C14 C13 118.24(11) . . ?
C1 C15 H15 120.1 . . ?
C16 C15 C1 119.83(12) . . ?
C16 C15 H15 120.1 . . ?
C14 C16 H16 119.7 . . ?
C15 C16 C14 120.69(12) . . ?
C15 C16 H16 119.7 . . ?
O4 C17 O5 123.85(12) . . ?
O4 C17 C10 123.45(12) . . ?
O5 C17 C10 112.69(10) . . ?
O5 C18 H18A 109.5 . . ?
O5 C18 H18B 109.5 . . ?
O5 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 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 C6 C7 O1 -159.04(10) . . . . ?
N1 C6 C7 O6 23.71(17) . . . . ?
N1 C6 C10 C11 -37.88(12) . . . . ?
N1 C6 C10 C17 -163.77(10) . . . . ?
N1 C13 C14 C3 10.98(17) . . . . ?
N1 C13 C14 C16 -174.60(11) . . . . ?
C1 C2 C3 C4 178.48(13) . . . . ?
C1 C2 C3 C14 -1.0(2) . . . . ?
C1 C15 C16 C14 -0.1(2) . . . . ?
C2 C1 C15 C16 0.7(2) . . . . ?
C2 C3 C4 C5 149.11(13) . . . . ?
C2 C3 C14 C13 175.90(12) . . . . ?
C2 C3 C14 C16 1.55(19) . . . . ?
C3 C4 C5 N1 58.86(14) . . . . ?
C3 C14 C16 C15 -1.0(2) . . . . ?
C4 C3 C14 C13 -3.57(19) . . . . ?
C4 C3 C14 C16 -177.92(12) . . . . ?
C5 N1 C6 C7 -90.74(12) . . . . ?
C5 N1 C6 C10 143.77(10) . . . . ?
C5 N1 C13 C11 -113.12(11) . . . . ?
C5 N1 C13 C14 18.39(15) . . . . ?
C6 N1 C5 C4 -175.36(10) . . . . ?
C6 N1 C13 C11 11.32(12) . . . . ?
C6 N1 C13 C14 142.83(11) . . . . ?
C6 C10 C11 C12 -78.94(12) . . . . ?
C6 C10 C11 C13 43.25(11) . . . . ?
C6 C10 C17 O4 -150.35(12) . . . . ?
C6 C10 C17 O5 29.94(15) . . . . ?
C7 O1 C8 C9 -178.23(13) . . . . ?
C7 C6 C10 C11 -160.86(10) . . . . ?
C7 C6 C10 C17 73.26(14) . . . . ?
C8 O1 C7 O6 1.53(19) . . . . ?
C8 O1 C7 C6 -175.70(11) . . . . ?
C10 C6 C7 O1 -39.23(15) . . . . ?
C10 C6 C7 O6 143.52(13) . . . . ?
C10 C11 C12 O2 -83.09(13) . . . . ?
C10 C11 C12 O3 95.69(14) . . . . ?
C10 C11 C13 N1 -33.91(11) . . . . ?
C10 C11 C13 C14 -163.89(10) . . . . ?
C11 C10 C17 O4 90.84(15) . . . . ?
C11 C10 C17 O5 -88.87(13) . . . . ?
C11 C13 C14 C3 136.94(12) . . . . ?
C11 C13 C14 C16 -48.64(16) . . . . ?
C12 C11 C13 N1 85.83(12) . . . . ?
C12 C11 C13 C14 -44.15(15) . . . . ?
C13 N1 C5 C4 -53.24(14) . . . . ?
C13 N1 C6 C7 142.17(10) . . . . ?
C13 N1 C6 C10 16.68(12) . . . . ?
C13 C11 C12 O2 163.71(10) . . . . ?
C13 C11 C12 O3 -17.51(17) . . . . ?
C13 C14 C16 C15 -175.59(12) . . . . ?
C14 C3 C4 C5 -31.43(17) . . . . ?
C15 C1 C2 C3 -0.1(2) . . . . ?
C17 C10 C11 C12 47.50(14) . . . . ?
C17 C10 C11 C13 169.69(10) . . . . ?
C18 O5 C17 O4 2.44(18) . . . . ?
C18 O5 C17 C10 -177.85(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
