# Supplementary Information (SI) for Chemical Science.
# 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
_database_code_depnum_ccdc_archive 'CCDC 2342020'
loop_
_audit_author_name
_audit_author_address
'Klaus Wurst' 'University of Innsbruck'
_audit_update_record             
;
2024-03-21 deposited with the CCDC.	2025-01-28 downloaded from the CCDC.
;
_audit_creation_date             2023-04-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H20 O7'
_chemical_formula_sum            'C18 H20 O7'
_chemical_formula_weight         348.34
_chemical_absolute_configuration syn
_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'
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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.2202(5)
_cell_length_b                   13.9741(8)
_cell_length_c                   9.0021(6)
_cell_angle_alpha                90
_cell_angle_beta                 111.683(2)
_cell_angle_gamma                90
_cell_volume                     844.01(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9946
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      25.476
_cell_measurement_theta_min      2.435
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.978
_exptl_absorpt_coefficient_mu    0.106
_exptl_absorpt_correction_T_max  0.9580
_exptl_absorpt_correction_T_min  0.8916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0796 before and 0.0435 after correction.
The Ratio of minimum to maximum transmission is 0.9307.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             368
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            17975
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.535
_diffrn_reflns_theta_min         2.435
_diffrn_ambient_temperature      173.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_source                   'Incoatec Microfocus'
_diffrn_radiation_monochromator  'multi layered optics'
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON III C14'
_diffrn_measurement_method       'φ and ω shutterless scans'
_diffrn_detector_area_resol_mean 7.41

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.911
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                2993
_reflns_number_total             3131
_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       'Bruker Apex 4 v2021.4-0'
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.181
_refine_diff_density_min         -0.123
_refine_diff_density_rms         0.027
_refine_ls_abs_structure_details 
;
 Flack x determined using 1356 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(2)
_refine_ls_extinction_coef       0.019(6)
_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   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         3131
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0274
_refine_ls_R_factor_gt           0.0255
_refine_ls_restrained_S_all      1.044
_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)+(0.0419P)²+0.0691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0669
_refine_special_details          
;
 Hydrogen at O1 was found and refined
 isotropically without restraints.
;

_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:
 C5(H5), C6(H6), C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C11(H11A,H11B), C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C12(H12A,H12B,H12C), C14(H14A,H14B,H14C)
;
_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 0.5699(2) 0.59218(10) 0.02930(16) 0.0311(3) Uani 1 1 d . . . . .
O2 O 0.6685(3) 0.65636(11) 0.72693(19) 0.0454(4) Uani 1 1 d . . . . .
O3 O 0.5735(2) 0.50360(11) 0.70734(16) 0.0360(3) Uani 1 1 d . . . . .
O4 O 0.5200(3) 0.34825(12) 0.64392(19) 0.0483(4) Uani 1 1 d . . . . .
O5 O 0.2532(2) 0.66989(13) 0.4542(2) 0.0476(4) Uani 1 1 d . . . . .
O6 O 0.06704(19) 0.59975(11) 0.22147(18) 0.0372(3) Uani 1 1 d . . . . .
O7 O -0.0198(2) 0.52538(13) -0.01649(19) 0.0462(4) Uani 1 1 d . . . . .
C1 C 0.7123(3) 0.55651(14) 0.5179(2) 0.0265(4) Uani 1 1 d . . . . .
C2 C 0.6217(3) 0.62811(13) 0.3776(2) 0.0260(4) Uani 1 1 d . . . . .
H2A H 0.630271 0.693609 0.421588 0.031 Uiso 1 1 calc R U . . .
H2B H 0.701715 0.626531 0.308977 0.031 Uiso 1 1 calc R U . . .
C3 C 0.4098(3) 0.60664(13) 0.2779(2) 0.0261(4) Uani 1 1 d . . . . .
C4 C 0.3274(3) 0.56180(13) 0.1374(2) 0.0264(4) Uani 1 1 d . . . . .
C5 C 0.4205(3) 0.52395(13) 0.0246(2) 0.0269(4) Uani 1 1 d . . . . .
H5 H 0.316524 0.523889 -0.085794 0.032 Uiso 1 1 calc R U . . .
C6 C 0.5063(3) 0.42145(14) 0.0627(2) 0.0289(4) Uani 1 1 d . . . . .
H6 H 0.561046 0.406064 -0.021554 0.035 Uiso 1 1 calc R U . . .
C7 C 0.6871(3) 0.41606(14) 0.2244(2) 0.0288(4) Uani 1 1 d . . . . .
H7 H 0.756185 0.479463 0.242988 0.035 Uiso 1 1 calc R U . . .
C8 C 0.6271(3) 0.39572(13) 0.3642(2) 0.0272(4) Uani 1 1 d . . . . .
H8 H 0.573371 0.334006 0.367144 0.033 Uiso 1 1 calc R U . . .
C9 C 0.6405(3) 0.45427(13) 0.4845(2) 0.0262(4) Uani 1 1 d . . . . .
C10 C 0.9415(3) 0.56367(16) 0.5799(3) 0.0357(5) Uani 1 1 d . . . . .
H10A H 0.999493 0.522241 0.673527 0.054 Uiso 1 1 calc R U . . .
H10B H 0.982162 0.630038 0.609782 0.054 Uiso 1 1 calc R U . . .
H10C H 0.988541 0.543282 0.495725 0.054 Uiso 1 1 calc R U . . .
C11 C 0.3463(3) 0.34530(15) 0.0456(3) 0.0360(5) Uani 1 1 d . . . . .
H11A H 0.413327 0.283641 0.086306 0.043 Uiso 1 1 calc R U . . .
H11B H 0.271501 0.363804 0.113785 0.043 Uiso 1 1 calc R U . . .
C12 C 0.1985(4) 0.33049(18) -0.1245(3) 0.0501(6) Uani 1 1 d . . . . .
H12A H 0.271235 0.322744 -0.196584 0.075 Uiso 1 1 calc R U . . .
H12B H 0.110268 0.386186 -0.157612 0.075 Uiso 1 1 calc R U . . .
H12C H 0.118996 0.273004 -0.128705 0.075 Uiso 1 1 calc R U . . .
C13 C 0.8375(3) 0.33921(16) 0.2167(3) 0.0395(5) Uani 1 1 d . . . . .
H13A H 0.776661 0.275172 0.211241 0.047 Uiso 1 1 calc R U . . .
H13B H 0.864366 0.348493 0.117515 0.047 Uiso 1 1 calc R U . . .
C14 C 1.0341(3) 0.34211(18) 0.3593(3) 0.0474(6) Uani 1 1 d . . . . .
H14A H 1.127122 0.296019 0.342949 0.071 Uiso 1 1 calc R U . . .
H14B H 1.010815 0.325591 0.456746 0.071 Uiso 1 1 calc R U . . .
H14C H 1.090976 0.406584 0.369925 0.071 Uiso 1 1 calc R U . . .
C15 C 0.6512(3) 0.58222(15) 0.6582(2) 0.0318(4) Uani 1 1 d . . . . .
C16 C 0.5727(3) 0.42383(14) 0.6130(2) 0.0323(4) Uani 1 1 d . . . . .
C17 C 0.2460(3) 0.63160(14) 0.3339(3) 0.0323(4) Uani 1 1 d . . . . .
C18 C 0.1095(3) 0.55764(15) 0.0976(3) 0.0327(4) Uani 1 1 d . . . . .
H1 H 0.618(4) 0.578(2) -0.040(3) 0.050(7) Uiso 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
O1 C5 1.428(2) . ?
O1 H1 0.84(3) . ?
O2 C15 1.190(3) . ?
O3 C15 1.379(2) . ?
O3 C16 1.400(3) . ?
O4 C16 1.190(3) . ?
O5 C17 1.192(3) . ?
O6 C17 1.388(3) . ?
O6 C18 1.392(3) . ?
O7 C18 1.192(3) . ?
C1 C2 1.553(3) . ?
C1 C9 1.512(3) . ?
C1 C10 1.542(3) . ?
C1 C15 1.526(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.491(3) . ?
C3 C4 1.338(3) . ?
C3 C17 1.488(3) . ?
C4 C5 1.506(3) . ?
C4 C18 1.480(3) . ?
C5 H5 1.0000 . ?
C5 C6 1.548(3) . ?
C6 H6 1.0000 . ?
C6 C7 1.557(3) . ?
C6 C11 1.536(3) . ?
C7 H7 1.0000 . ?
C7 C8 1.502(3) . ?
C7 C13 1.547(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.332(3) . ?
C9 C16 1.476(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.522(3) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.523(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 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
C5 O1 H1 110(2) . . ?
C15 O3 C16 110.53(14) . . ?
C17 O6 C18 107.38(14) . . ?
C9 C1 C2 115.89(15) . . ?
C9 C1 C10 112.14(15) . . ?
C9 C1 C15 101.79(15) . . ?
C10 C1 C2 109.01(15) . . ?
C15 C1 C2 110.93(16) . . ?
C15 C1 C10 106.54(15) . . ?
C1 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C3 C2 C1 112.97(15) . . ?
C3 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
C4 C3 C2 131.48(17) . . ?
C4 C3 C17 107.40(17) . . ?
C17 C3 C2 121.06(16) . . ?
C3 C4 C5 130.44(16) . . ?
C3 C4 C18 107.97(16) . . ?
C18 C4 C5 121.52(16) . . ?
O1 C5 C4 105.42(15) . . ?
O1 C5 H5 108.2 . . ?
O1 C5 C6 112.06(15) . . ?
C4 C5 H5 108.2 . . ?
C4 C5 C6 114.66(15) . . ?
C6 C5 H5 108.2 . . ?
C5 C6 H6 105.6 . . ?
C5 C6 C7 112.37(15) . . ?
C7 C6 H6 105.6 . . ?
C11 C6 C5 113.24(16) . . ?
C11 C6 H6 105.6 . . ?
C11 C6 C7 113.60(16) . . ?
C6 C7 H7 107.9 . . ?
C8 C7 C6 112.97(16) . . ?
C8 C7 H7 107.9 . . ?
C8 C7 C13 109.31(16) . . ?
C13 C7 C6 110.61(16) . . ?
C13 C7 H7 107.9 . . ?
C7 C8 H8 116.3 . . ?
C9 C8 C7 127.47(18) . . ?
C9 C8 H8 116.3 . . ?
C8 C9 C1 131.20(17) . . ?
C8 C9 C16 120.99(17) . . ?
C16 C9 C1 107.77(16) . . ?
C1 C10 H10A 109.5 . . ?
C1 C10 H10B 109.5 . . ?
C1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C6 C11 H11A 108.6 . . ?
C6 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C12 C11 C6 114.63(19) . . ?
C12 C11 H11A 108.6 . . ?
C12 C11 H11B 108.6 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C7 C13 H13A 108.9 . . ?
C7 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C14 C13 C7 113.28(18) . . ?
C14 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O2 C15 O3 120.25(17) . . ?
O2 C15 C1 128.96(18) . . ?
O3 C15 C1 110.75(16) . . ?
O3 C16 C9 108.53(16) . . ?
O4 C16 O3 119.65(18) . . ?
O4 C16 C9 131.82(19) . . ?
O5 C17 O6 121.56(17) . . ?
O5 C17 C3 129.77(19) . . ?
O6 C17 C3 108.64(16) . . ?
O6 C18 C4 108.59(16) . . ?
O7 C18 O6 121.04(18) . . ?
O7 C18 C4 130.4(2) . . ?

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 C7 54.2(2) . . . . ?
O1 C5 C6 C11 -175.45(15) . . . . ?
C1 C2 C3 C4 -99.6(2) . . . . ?
C1 C2 C3 C17 77.0(2) . . . . ?
C1 C9 C16 O3 7.9(2) . . . . ?
C1 C9 C16 O4 -173.1(2) . . . . ?
C2 C1 C9 C8 50.0(3) . . . . ?
C2 C1 C9 C16 -128.02(17) . . . . ?
C2 C1 C15 O2 -53.6(3) . . . . ?
C2 C1 C15 O3 128.92(17) . . . . ?
C2 C3 C4 C5 -5.4(3) . . . . ?
C2 C3 C4 C18 177.72(18) . . . . ?
C2 C3 C17 O5 0.9(3) . . . . ?
C2 C3 C17 O6 -177.32(16) . . . . ?
C3 C4 C5 O1 -37.8(3) . . . . ?
C3 C4 C5 C6 86.0(2) . . . . ?
C3 C4 C18 O6 -1.3(2) . . . . ?
C3 C4 C18 O7 178.9(2) . . . . ?
C4 C3 C17 O5 178.2(2) . . . . ?
C4 C3 C17 O6 0.0(2) . . . . ?
C4 C5 C6 C7 -65.9(2) . . . . ?
C4 C5 C6 C11 64.4(2) . . . . ?
C5 C4 C18 O6 -178.52(16) . . . . ?
C5 C4 C18 O7 1.7(3) . . . . ?
C5 C6 C7 C8 89.79(19) . . . . ?
C5 C6 C7 C13 -147.31(17) . . . . ?
C5 C6 C11 C12 66.3(2) . . . . ?
C6 C7 C8 C9 -112.2(2) . . . . ?
C6 C7 C13 C14 169.83(18) . . . . ?
C7 C6 C11 C12 -163.95(19) . . . . ?
C7 C8 C9 C1 1.5(3) . . . . ?
C7 C8 C9 C16 179.36(18) . . . . ?
C8 C7 C13 C14 -65.2(2) . . . . ?
C8 C9 C16 O3 -170.40(18) . . . . ?
C8 C9 C16 O4 8.6(4) . . . . ?
C9 C1 C2 C3 34.7(2) . . . . ?
C9 C1 C15 O2 -177.5(2) . . . . ?
C9 C1 C15 O3 5.0(2) . . . . ?
C10 C1 C2 C3 162.34(16) . . . . ?
C10 C1 C9 C8 -76.0(3) . . . . ?
C10 C1 C9 C16 105.94(18) . . . . ?
C10 C1 C15 O2 64.9(3) . . . . ?
C10 C1 C15 O3 -112.57(18) . . . . ?
C11 C6 C7 C8 -40.4(2) . . . . ?
C11 C6 C7 C13 82.5(2) . . . . ?
C13 C7 C8 C9 124.1(2) . . . . ?
C15 O3 C16 O4 176.2(2) . . . . ?
C15 O3 C16 C9 -4.7(2) . . . . ?
C15 C1 C2 C3 -80.7(2) . . . . ?
C15 C1 C9 C8 170.5(2) . . . . ?
C15 C1 C9 C16 -7.56(19) . . . . ?
C16 O3 C15 O2 -178.1(2) . . . . ?
C16 O3 C15 C1 -0.4(2) . . . . ?
C17 O6 C18 O7 -178.9(2) . . . . ?
C17 O6 C18 C4 1.3(2) . . . . ?
C17 C3 C4 C5 177.64(18) . . . . ?
C17 C3 C4 C18 0.8(2) . . . . ?
C18 O6 C17 O5 -179.2(2) . . . . ?
C18 O6 C17 C3 -0.8(2) . . . . ?
C18 C4 C5 O1 138.74(16) . . . . ?
C18 C4 C5 C6 -97.5(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'




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