# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# 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. 
# 
#######################################################################

data_raj
_database_code_depnum_ccdc_archive 'CCDC 2420320'
loop_
_audit_author_name
_audit_author_address
'sourav ghosh'
;jadavpur university
India
;
_audit_update_record             
;
2025-01-29 deposited with the CCDC.	2025-10-20 downloaded from the CCDC.
;
_audit_creation_date             2024-08-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H20 O4'
_chemical_formula_sum            'C27 H20 O4'
_chemical_formula_weight         408.43
_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           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                   8.3527(6)
_cell_length_b                   25.4679(17)
_cell_length_c                   10.5950(7)
_cell_angle_alpha                90
_cell_angle_beta                 110.349(2)
_cell_angle_gamma                90
_cell_volume                     2113.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9183
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      26.78
_cell_measurement_theta_min      2.60
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.991
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7050
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1400 before and 0.0644 after correction.
The Ratio of minimum to maximum transmission is 0.9458.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_unetI/netI     0.0173
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            71316
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.830
_diffrn_reflns_theta_min         2.600
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_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                3907
_reflns_number_total             4495
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.185
_refine_diff_density_min         -0.152
_refine_diff_density_rms         0.032
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         4495
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0573
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0501P)²+0.8414P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1417
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19), C1A(H1A), C1B(H1B), C1C(H1C), C1D(H1D), C1F(H1F)
2.b Idealised Me refined as rotating group:
 C1E(H1EA,H1EB,H1EC), C1G(H1GA,H1GB,H1GC)
;
_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
O5 O 0.2030(2) 0.70676(6) 0.40211(14) 0.0654(4) Uani 1 1 d . . . . .
O1 O 0.54480(19) 0.56518(6) 0.39292(16) 0.0699(4) Uani 1 1 d . . . . .
O2 O 0.3410(2) 0.68418(7) 0.26464(16) 0.0842(6) Uani 1 1 d . . . . .
O3 O 0.2664(2) 0.57157(8) 0.29026(18) 0.0913(6) Uani 1 1 d . . . . .
C20 C 0.4354(2) 0.61602(6) 0.81729(17) 0.0425(4) Uani 1 1 d . . . . .
C1 C 0.5847(2) 0.65462(6) 0.54133(16) 0.0423(4) Uani 1 1 d . . . . .
C2 C 0.6165(2) 0.65163(6) 0.67980(16) 0.0406(4) Uani 1 1 d . . . . .
C3 C 0.4655(2) 0.62863(6) 0.70105(16) 0.0395(4) Uani 1 1 d . . . . .
C4 C 0.2755(2) 0.59259(7) 0.80659(19) 0.0464(4) Uani 1 1 d . . . . .
C5 C 0.1527(2) 0.58168(7) 0.6782(2) 0.0506(4) Uani 1 1 d . . . . .
C6 C 0.7743(2) 0.66857(7) 0.76932(18) 0.0489(4) Uani 1 1 d . . . . .
H6 H 0.797427 0.667191 0.861695 0.059 Uiso 1 1 calc R U . . .
C7 C 0.3395(2) 0.61835(6) 0.57282(16) 0.0426(4) Uani 1 1 d . . . . .
C8 C 0.4055(2) 0.63444(7) 0.46143(16) 0.0436(4) Uani 1 1 d . . . . .
C9 C 0.5673(2) 0.62573(7) 0.95258(17) 0.0471(4) Uani 1 1 d . . . . .
C10 C 0.3012(2) 0.67937(7) 0.37408(17) 0.0488(4) Uani 1 1 d . . . . .
C11 C 0.1883(2) 0.59546(7) 0.56054(19) 0.0501(4) Uani 1 1 d . . . . .
H11 H 0.108337 0.588812 0.475724 0.060 Uiso 1 1 calc R U . . .
C12 C 0.7059(2) 0.67367(8) 0.49239(19) 0.0529(4) Uani 1 1 d . . . . .
H12 H 0.682830 0.675726 0.400107 0.064 Uiso 1 1 calc R U . . .
C13 C 0.3963(2) 0.58710(7) 0.37045(18) 0.0500(4) Uani 1 1 d . . . . .
C14 C 0.8627(3) 0.68976(8) 0.5822(2) 0.0585(5) Uani 1 1 d . . . . .
H14 H 0.946210 0.702211 0.550365 0.070 Uiso 1 1 calc R U . . .
C15 C 0.8948(3) 0.68728(8) 0.7196(2) 0.0585(5) Uani 1 1 d . . . . .
H15 H 0.999869 0.698480 0.779203 0.070 Uiso 1 1 calc R U . . .
C16 C 0.2353(3) 0.57964(8) 0.9228(2) 0.0606(5) Uani 1 1 d . . . . .
H16 H 0.313091 0.587312 1.007791 0.073 Uiso 1 1 calc R U . . .
C17 C -0.0021(3) 0.55672(9) 0.6700(3) 0.0682(6) Uani 1 1 d . . . . .
H17 H -0.082530 0.548747 0.586236 0.082 Uiso 1 1 calc R U . . .
C18 C 0.6840(3) 0.58694(10) 1.0159(2) 0.0663(6) Uani 1 1 d . . . . .
H18 H 0.676141 0.554019 0.976222 0.080 Uiso 1 1 calc R U . . .
C19 C 0.5798(3) 0.67380(9) 1.0145(2) 0.0658(6) Uani 1 1 d . . . . .
H19 H 0.502201 0.700235 0.973928 0.079 Uiso 1 1 calc R U . . .
C1A C 0.0847(3) 0.55621(10) 0.9112(3) 0.0753(7) Uani 1 1 d . . . . .
H1A H 0.060485 0.548055 0.988224 0.090 Uiso 1 1 calc R U . . .
C1B C 0.7079(4) 0.68298(12) 1.1373(2) 0.0862(9) Uani 1 1 d . . . . .
H1B H 0.714770 0.715476 1.178937 0.103 Uiso 1 1 calc R U . . .
C1C C -0.0340(3) 0.54427(10) 0.7847(3) 0.0794(7) Uani 1 1 d . . . . .
H1C H -0.135782 0.527702 0.778298 0.095 Uiso 1 1 calc R U . . .
C1D C 0.8234(3) 0.64504(16) 1.1974(2) 0.0916(9) Uani 1 1 d . . . . .
H1D H 0.910104 0.651755 1.278985 0.110 Uiso 1 1 calc R U . . .
C1E C 0.5464(4) 0.51923(11) 0.3110(3) 0.0971(9) Uani 1 1 d . . . . .
H1EA H 0.491189 0.527663 0.217559 0.146 Uiso 1 1 calc R U . . .
H1EB H 0.486755 0.490872 0.334923 0.146 Uiso 1 1 calc R U . . .
H1EC H 0.662282 0.508927 0.326684 0.146 Uiso 1 1 calc R U . . .
C1F C 0.8118(3) 0.59684(14) 1.1376(2) 0.0898(9) Uani 1 1 d . . . . .
H1F H 0.890208 0.570700 1.178983 0.108 Uiso 1 1 calc R U . . .
C1G C 0.2543(4) 0.72536(14) 0.1706(3) 0.1083(11) Uani 1 1 d . . . . .
H1GA H 0.301804 0.727639 0.100324 0.162 Uiso 1 1 calc R U . . .
H1GB H 0.269052 0.758311 0.217325 0.162 Uiso 1 1 calc R U . . .
H1GC H 0.134760 0.717325 0.132204 0.162 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
O5 C10 1.190(2) . ?
O1 C13 1.304(2) . ?
O1 C1E 1.460(3) . ?
O2 C10 1.318(2) . ?
O2 C1G 1.454(3) . ?
O3 C13 1.189(2) . ?
C20 C3 1.378(2) . ?
C20 C4 1.431(2) . ?
C20 C9 1.494(2) . ?
C1 C2 1.399(2) . ?
C1 C8 1.530(2) . ?
C1 C12 1.376(3) . ?
C2 C3 1.476(2) . ?
C2 C6 1.398(2) . ?
C3 C7 1.424(2) . ?
C4 C5 1.417(3) . ?
C4 C16 1.423(3) . ?
C5 C11 1.423(3) . ?
C5 C17 1.416(3) . ?
C6 H6 0.9300 . ?
C6 C15 1.373(3) . ?
C7 C8 1.522(2) . ?
C7 C11 1.356(2) . ?
C8 C10 1.538(2) . ?
C8 C13 1.529(2) . ?
C9 C18 1.386(3) . ?
C9 C19 1.376(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C12 C14 1.386(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.387(3) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C1A 1.359(3) . ?
C17 H17 0.9300 . ?
C17 C1C 1.369(3) . ?
C18 H18 0.9300 . ?
C18 C1F 1.381(3) . ?
C19 H19 0.9300 . ?
C19 C1B 1.387(3) . ?
C1A H1A 0.9300 . ?
C1A C1C 1.395(4) . ?
C1B H1B 0.9300 . ?
C1B C1D 1.357(4) . ?
C1C H1C 0.9300 . ?
C1D H1D 0.9300 . ?
C1D C1F 1.370(5) . ?
C1E H1EA 0.9600 . ?
C1E H1EB 0.9600 . ?
C1E H1EC 0.9600 . ?
C1F H1F 0.9300 . ?
C1G H1GA 0.9600 . ?
C1G H1GB 0.9600 . ?
C1G H1GC 0.9600 . ?

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
C13 O1 C1E 116.06(18) . . ?
C10 O2 C1G 116.86(18) . . ?
C3 C20 C4 118.81(15) . . ?
C3 C20 C9 121.08(15) . . ?
C4 C20 C9 120.10(15) . . ?
C2 C1 C8 110.72(14) . . ?
C12 C1 C2 121.23(16) . . ?
C12 C1 C8 128.05(16) . . ?
C1 C2 C3 108.73(14) . . ?
C6 C2 C1 118.99(16) . . ?
C6 C2 C3 132.27(15) . . ?
C20 C3 C2 131.28(15) . . ?
C20 C3 C7 120.37(15) . . ?
C7 C3 C2 108.34(14) . . ?
C5 C4 C20 120.12(16) . . ?
C5 C4 C16 118.35(17) . . ?
C16 C4 C20 121.53(17) . . ?
C4 C5 C11 119.38(16) . . ?
C17 C5 C4 119.19(19) . . ?
C17 C5 C11 121.42(19) . . ?
C2 C6 H6 120.3 . . ?
C15 C6 C2 119.40(17) . . ?
C15 C6 H6 120.3 . . ?
C3 C7 C8 110.07(14) . . ?
C11 C7 C3 121.72(16) . . ?
C11 C7 C8 128.16(16) . . ?
C1 C8 C10 108.88(14) . . ?
C7 C8 C1 102.12(13) . . ?
C7 C8 C10 112.62(14) . . ?
C7 C8 C13 108.92(15) . . ?
C13 C8 C1 116.03(14) . . ?
C13 C8 C10 108.29(14) . . ?
C18 C9 C20 120.41(17) . . ?
C19 C9 C20 120.92(17) . . ?
C19 C9 C18 118.63(19) . . ?
O5 C10 O2 124.84(17) . . ?
O5 C10 C8 125.55(17) . . ?
O2 C10 C8 109.58(15) . . ?
C5 C11 H11 120.2 . . ?
C7 C11 C5 119.58(16) . . ?
C7 C11 H11 120.2 . . ?
C1 C12 H12 120.4 . . ?
C1 C12 C14 119.25(18) . . ?
C14 C12 H12 120.4 . . ?
O1 C13 C8 112.73(15) . . ?
O3 C13 O1 124.17(18) . . ?
O3 C13 C8 123.08(18) . . ?
C12 C14 H14 120.0 . . ?
C12 C14 C15 119.91(18) . . ?
C15 C14 H14 120.0 . . ?
C6 C15 C14 121.21(18) . . ?
C6 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C4 C16 H16 119.6 . . ?
C1A C16 C4 120.9(2) . . ?
C1A C16 H16 119.6 . . ?
C5 C17 H17 119.8 . . ?
C1C C17 C5 120.3(2) . . ?
C1C C17 H17 119.8 . . ?
C9 C18 H18 119.8 . . ?
C1F C18 C9 120.4(2) . . ?
C1F C18 H18 119.8 . . ?
C9 C19 H19 119.9 . . ?
C9 C19 C1B 120.2(2) . . ?
C1B C19 H19 119.9 . . ?
C16 C1A H1A 119.7 . . ?
C16 C1A C1C 120.6(2) . . ?
C1C C1A H1A 119.7 . . ?
C19 C1B H1B 119.6 . . ?
C1D C1B C19 120.7(2) . . ?
C1D C1B H1B 119.6 . . ?
C17 C1C C1A 120.6(2) . . ?
C17 C1C H1C 119.7 . . ?
C1A C1C H1C 119.7 . . ?
C1B C1D H1D 120.1 . . ?
C1B C1D C1F 119.8(2) . . ?
C1F C1D H1D 120.1 . . ?
O1 C1E H1EA 109.5 . . ?
O1 C1E H1EB 109.5 . . ?
O1 C1E H1EC 109.5 . . ?
H1EA C1E H1EB 109.5 . . ?
H1EA C1E H1EC 109.5 . . ?
H1EB C1E H1EC 109.5 . . ?
C18 C1F H1F 119.9 . . ?
C1D C1F C18 120.2(3) . . ?
C1D C1F H1F 119.9 . . ?
O2 C1G H1GA 109.5 . . ?
O2 C1G H1GB 109.5 . . ?
O2 C1G H1GC 109.5 . . ?
H1GA C1G H1GB 109.5 . . ?
H1GA C1G H1GC 109.5 . . ?
H1GB C1G H1GC 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
C20 C3 C7 C8 -178.48(15) . . . . ?
C20 C3 C7 C11 -0.9(3) . . . . ?
C20 C4 C5 C11 -1.6(3) . . . . ?
C20 C4 C5 C17 177.69(17) . . . . ?
C20 C4 C16 C1A -178.33(19) . . . . ?
C20 C9 C18 C1F 176.4(2) . . . . ?
C20 C9 C19 C1B -177.0(2) . . . . ?
C1 C2 C3 C20 177.56(17) . . . . ?
C1 C2 C3 C7 -0.92(18) . . . . ?
C1 C2 C6 C15 -0.6(3) . . . . ?
C1 C8 C10 O5 -97.7(2) . . . . ?
C1 C8 C10 O2 80.29(19) . . . . ?
C1 C8 C13 O1 11.5(2) . . . . ?
C1 C8 C13 O3 -170.1(2) . . . . ?
C1 C12 C14 C15 -1.0(3) . . . . ?
C2 C1 C8 C7 -1.10(17) . . . . ?
C2 C1 C8 C10 118.19(16) . . . . ?
C2 C1 C8 C13 -119.39(16) . . . . ?
C2 C1 C12 C14 0.5(3) . . . . ?
C2 C3 C7 C8 0.20(18) . . . . ?
C2 C3 C7 C11 177.80(16) . . . . ?
C2 C6 C15 C14 0.1(3) . . . . ?
C3 C20 C4 C5 1.4(2) . . . . ?
C3 C20 C4 C16 -178.71(17) . . . . ?
C3 C20 C9 C18 -91.7(2) . . . . ?
C3 C20 C9 C19 85.8(2) . . . . ?
C3 C2 C6 C15 178.05(18) . . . . ?
C3 C7 C8 C1 0.51(17) . . . . ?
C3 C7 C8 C10 -116.11(16) . . . . ?
C3 C7 C8 C13 123.75(15) . . . . ?
C3 C7 C11 C5 0.6(3) . . . . ?
C4 C20 C3 C2 -178.47(16) . . . . ?
C4 C20 C3 C7 -0.1(2) . . . . ?
C4 C20 C9 C18 87.5(2) . . . . ?
C4 C20 C9 C19 -95.1(2) . . . . ?
C4 C5 C11 C7 0.6(3) . . . . ?
C4 C5 C17 C1C 1.3(3) . . . . ?
C4 C16 C1A C1C 0.1(4) . . . . ?
C5 C4 C16 C1A 1.6(3) . . . . ?
C5 C17 C1C C1A 0.4(4) . . . . ?
C6 C2 C3 C20 -1.2(3) . . . . ?
C6 C2 C3 C7 -179.64(18) . . . . ?
C7 C8 C10 O5 14.8(3) . . . . ?
C7 C8 C10 O2 -167.20(16) . . . . ?
C7 C8 C13 O1 -102.97(18) . . . . ?
C7 C8 C13 O3 75.4(2) . . . . ?
C8 C1 C2 C3 1.28(18) . . . . ?
C8 C1 C2 C6 -179.80(15) . . . . ?
C8 C1 C12 C14 -179.42(17) . . . . ?
C8 C7 C11 C5 177.76(16) . . . . ?
C9 C20 C3 C2 0.7(3) . . . . ?
C9 C20 C3 C7 179.01(15) . . . . ?
C9 C20 C4 C5 -177.79(16) . . . . ?
C9 C20 C4 C16 2.1(3) . . . . ?
C9 C18 C1F C1D 0.6(4) . . . . ?
C9 C19 C1B C1D 0.7(4) . . . . ?
C10 C8 C13 O1 134.25(17) . . . . ?
C10 C8 C13 O3 -47.3(3) . . . . ?
C11 C5 C17 C1C -179.4(2) . . . . ?
C11 C7 C8 C1 -176.89(17) . . . . ?
C11 C7 C8 C10 66.5(2) . . . . ?
C11 C7 C8 C13 -53.6(2) . . . . ?
C12 C1 C2 C3 -178.68(16) . . . . ?
C12 C1 C2 C6 0.2(3) . . . . ?
C12 C1 C8 C7 178.86(17) . . . . ?
C12 C1 C8 C10 -61.9(2) . . . . ?
C12 C1 C8 C13 60.6(2) . . . . ?
C12 C14 C15 C6 0.7(3) . . . . ?
C13 C8 C10 O5 135.3(2) . . . . ?
C13 C8 C10 O2 -46.7(2) . . . . ?
C16 C4 C5 C11 178.46(17) . . . . ?
C16 C4 C5 C17 -2.2(3) . . . . ?
C16 C1A C1C C17 -1.1(4) . . . . ?
C17 C5 C11 C7 -178.68(18) . . . . ?
C18 C9 C19 C1B 0.5(3) . . . . ?
C19 C9 C18 C1F -1.1(3) . . . . ?
C19 C1B C1D C1F -1.2(4) . . . . ?
C1B C1D C1F C18 0.5(4) . . . . ?
C1E O1 C13 O3 0.9(3) . . . . ?
C1E O1 C13 C8 179.3(2) . . . . ?
C1G O2 C10 O5 -1.6(4) . . . . ?
C1G O2 C10 C8 -179.6(2) . . . . ?

_olex2_submission_original_sample_id UJ(O)_RKS_30
_olex2_submission_special_instructions 'No special instructions were received'
