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

data_20211014li_xiejin_lm2_1_0m
_audit_block_doi                 10.5517/ccdc.csd.cc299bdc
_database_code_depnum_ccdc_archive 'CCDC 2124132'
loop_
_audit_author_name
_audit_author_address
'Sun Zhihui'
;Nanjing University of Chinese Medicine
China
;
_audit_update_record             
;
2021-11-24 deposited with the CCDC.	2023-11-24 downloaded from the CCDC.
;
_audit_creation_date             2021-10-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H21 Cl O5'
_chemical_formula_sum            'C15 H21 Cl O5'
_chemical_formula_weight         316.77
_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 0.0137 0.0067 '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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.343
_cell_length_b                   9.959
_cell_length_c                   23.828
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1505.3
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6718
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      53.73
_cell_measurement_theta_min      4.19
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.594
_exptl_absorpt_correction_T_max  0.7506
_exptl_absorpt_correction_T_min  0.4793
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1314 before and 0.0801 after correction.
The Ratio of minimum to maximum transmission is 0.6386.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             672
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11099
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.924
_diffrn_reflns_theta_min         4.186
_diffrn_ambient_temperature      193.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.683
_reflns_Friedel_fraction_full    0.976
_reflns_Friedel_fraction_max     0.967
_reflns_number_gt                2383
_reflns_number_total             2714
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.191
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.038
_refine_ls_abs_structure_details 
;
 Flack x determined using 856 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.032(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2714
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0386
_refine_ls_restrained_S_all      1.060
_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)+(0.0492P)²+0.1363P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.1011
_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 Ternary CH refined with riding coordinates:
 C5(H5), C10(H10), C11(H11), C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C8(H8A,H8B), C12(H12A,H12B)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C6(H6A,H6B,H6C), C15(H15A,H15B,H15C)
;
_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
Cl1 Cl 0.29908(15) 0.26467(10) 0.56859(4) 0.0582(3) Uani 1 1 d . . . . .
O1 O 0.0230(3) 0.4644(2) 0.68445(8) 0.0400(5) Uani 1 1 d . . . . .
O2 O 0.2047(4) 0.6174(2) 0.73862(8) 0.0423(5) Uani 1 1 d . . . . .
O3 O 0.3989(3) 0.6146(2) 0.70469(8) 0.0375(5) Uani 1 1 d . . . . .
O4 O 0.0165(3) 0.6506(2) 0.62945(9) 0.0419(6) Uani 1 1 d . . . . .
O5 O -0.0118(4) 0.8421(3) 0.58503(10) 0.0586(7) Uani 1 1 d . . . . .
C1 C -0.0612(6) 0.4898(4) 0.78073(15) 0.0597(10) Uani 1 1 d . . . . .
H1A H -0.154642 0.565359 0.772058 0.090 Uiso 1 1 calc R U . . .
H1B H -0.004093 0.500657 0.818675 0.090 Uiso 1 1 calc R U . . .
H1C H -0.140855 0.405667 0.778564 0.090 Uiso 1 1 calc R U . . .
C2 C 0.1189(5) 0.4863(4) 0.73867(12) 0.0422(8) Uani 1 1 d . . . . .
C3 C 0.2842(6) 0.3787(4) 0.75053(13) 0.0457(8) Uani 1 1 d . . . . .
H3A H 0.219173 0.307253 0.773652 0.055 Uiso 1 1 calc R U . . .
H3B H 0.399647 0.419213 0.772792 0.055 Uiso 1 1 calc R U . . .
C4 C 0.3782(5) 0.3149(3) 0.69779(14) 0.0437(8) Uani 1 1 d . . . . .
H4A H 0.484944 0.248103 0.709574 0.052 Uiso 1 1 calc R U . . .
H4B H 0.264738 0.265623 0.678067 0.052 Uiso 1 1 calc R U . . .
C5 C 0.4812(5) 0.4108(3) 0.65612(12) 0.0350(7) Uani 1 1 d . . . . .
H5 H 0.620524 0.433748 0.673228 0.042 Uiso 1 1 calc R U . . .
C6 C 0.6937(6) 0.2291(4) 0.60751(15) 0.0552(9) Uani 1 1 d . . . . .
H6A H 0.632219 0.160032 0.631826 0.083 Uiso 1 1 calc R U . . .
H6B H 0.822700 0.264045 0.624793 0.083 Uiso 1 1 calc R U . . .
H6C H 0.727552 0.189747 0.570897 0.083 Uiso 1 1 calc R U . . .
C7 C 0.5358(5) 0.3434(3) 0.59974(13) 0.0416(8) Uani 1 1 d . . . . .
C8 C 0.6153(5) 0.4440(3) 0.55684(13) 0.0462(8) Uani 1 1 d . . . . .
H8A H 0.624485 0.399201 0.519839 0.055 Uiso 1 1 calc R U . . .
H8B H 0.759372 0.472358 0.567536 0.055 Uiso 1 1 calc R U . . .
C9 C 0.3641(4) 0.5461(3) 0.65132(11) 0.0319(7) Uani 1 1 d . . . . .
C10 C 0.1298(4) 0.5271(3) 0.64069(12) 0.0355(7) Uani 1 1 d . . . . .
H10 H 0.115128 0.468663 0.606793 0.043 Uiso 1 1 calc R U . . .
C11 C 0.4595(4) 0.6390(3) 0.60755(12) 0.0347(7) Uani 1 1 d . . . . .
H11 H 0.606750 0.658632 0.620122 0.042 Uiso 1 1 calc R U . . .
C12 C 0.4774(5) 0.5683(3) 0.55118(12) 0.0452(8) Uani 1 1 d . . . . .
H12A H 0.539619 0.630161 0.523189 0.054 Uiso 1 1 calc R U . . .
H12B H 0.335351 0.542062 0.537901 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3424(5) 0.7738(3) 0.60652(13) 0.0401(7) Uani 1 1 d . . . . .
H13 H 0.373769 0.817667 0.643343 0.048 Uiso 1 1 calc R U . . .
C14 C 0.1056(5) 0.7592(4) 0.60424(12) 0.0407(7) Uani 1 1 d . . . . .
C15 C 0.4225(6) 0.8707(4) 0.56173(18) 0.0622(11) Uani 1 1 d . . . . .
H15A H 0.575429 0.881384 0.565532 0.093 Uiso 1 1 calc R U . . .
H15B H 0.353805 0.958133 0.566445 0.093 Uiso 1 1 calc R U . . .
H15C H 0.389744 0.834878 0.524430 0.093 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
Cl1 C7 1.849(3) . ?
O1 C2 1.444(4) . ?
O1 C10 1.392(4) . ?
O2 O3 1.474(3) . ?
O2 C2 1.414(4) . ?
O3 C9 1.460(3) . ?
O4 C10 1.449(4) . ?
O4 C14 1.360(4) . ?
O5 C14 1.202(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1 C2 1.520(4) . ?
C2 C3 1.526(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.529(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.525(4) . ?
C5 H5 1.0000 . ?
C5 C7 1.541(4) . ?
C5 C9 1.543(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C6 C7 1.528(4) . ?
C7 C8 1.518(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C12 1.522(4) . ?
C9 C10 1.519(4) . ?
C9 C11 1.520(4) . ?
C10 H10 1.0000 . ?
C11 H11 1.0000 . ?
C11 C12 1.521(4) . ?
C11 C13 1.535(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13 1.0000 . ?
C13 C14 1.510(4) . ?
C13 C15 1.526(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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
C10 O1 C2 113.4(2) . . ?
C2 O2 O3 107.7(2) . . ?
C9 O3 O2 111.11(19) . . ?
C14 O4 C10 123.4(2) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
O1 C2 C1 106.1(3) . . ?
O1 C2 C3 110.4(3) . . ?
O2 C2 O1 107.5(2) . . ?
O2 C2 C1 105.6(3) . . ?
O2 C2 C3 112.6(3) . . ?
C1 C2 C3 114.2(3) . . ?
C2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
C2 C3 C4 114.0(3) . . ?
H3A C3 H3B 107.6 . . ?
C4 C3 H3A 108.7 . . ?
C4 C3 H3B 108.7 . . ?
C3 C4 H4A 108.2 . . ?
C3 C4 H4B 108.2 . . ?
H4A C4 H4B 107.4 . . ?
C5 C4 C3 116.2(3) . . ?
C5 C4 H4A 108.2 . . ?
C5 C4 H4B 108.2 . . ?
C4 C5 H5 104.8 . . ?
C4 C5 C7 113.0(3) . . ?
C4 C5 C9 112.9(2) . . ?
C7 C5 H5 104.8 . . ?
C7 C5 C9 115.1(2) . . ?
C9 C5 H5 104.8 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
C5 C7 Cl1 110.6(2) . . ?
C6 C7 Cl1 105.4(2) . . ?
C6 C7 C5 111.5(3) . . ?
C8 C7 Cl1 106.2(2) . . ?
C8 C7 C5 112.0(3) . . ?
C8 C7 C6 110.8(3) . . ?
C7 C8 H8A 108.8 . . ?
C7 C8 H8B 108.8 . . ?
C7 C8 C12 114.0(3) . . ?
H8A C8 H8B 107.7 . . ?
C12 C8 H8A 108.8 . . ?
C12 C8 H8B 108.8 . . ?
O3 C9 C5 105.7(2) . . ?
O3 C9 C10 110.6(2) . . ?
O3 C9 C11 104.7(2) . . ?
C10 C9 C5 112.0(2) . . ?
C10 C9 C11 110.5(2) . . ?
C11 C9 C5 113.0(2) . . ?
O1 C10 O4 106.1(2) . . ?
O1 C10 C9 114.0(2) . . ?
O1 C10 H10 107.4 . . ?
O4 C10 C9 114.2(2) . . ?
O4 C10 H10 107.4 . . ?
C9 C10 H10 107.4 . . ?
C9 C11 H11 106.6 . . ?
C9 C11 C12 110.7(2) . . ?
C9 C11 C13 110.5(2) . . ?
C12 C11 H11 106.6 . . ?
C12 C11 C13 115.3(2) . . ?
C13 C11 H11 106.6 . . ?
C8 C12 H12A 109.7 . . ?
C8 C12 H12B 109.7 . . ?
C11 C12 C8 109.9(2) . . ?
C11 C12 H12A 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C11 C13 H13 105.8 . . ?
C14 C13 C11 113.4(3) . . ?
C14 C13 H13 105.8 . . ?
C14 C13 C15 111.5(3) . . ?
C15 C13 C11 113.8(3) . . ?
C15 C13 H13 105.8 . . ?
O4 C14 C13 118.3(3) . . ?
O5 C14 O4 117.2(3) . . ?
O5 C14 C13 124.3(3) . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 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
Cl1 C7 C8 C12 72.0(3) . . . . ?
O1 C2 C3 C4 25.0(4) . . . . ?
O2 O3 C9 C5 -108.2(2) . . . . ?
O2 O3 C9 C10 13.2(3) . . . . ?
O2 O3 C9 C11 132.2(2) . . . . ?
O2 C2 C3 C4 -95.2(3) . . . . ?
O3 O2 C2 O1 -75.1(3) . . . . ?
O3 O2 C2 C1 172.0(2) . . . . ?
O3 O2 C2 C3 46.7(3) . . . . ?
O3 C9 C10 O1 -53.2(3) . . . . ?
O3 C9 C10 O4 69.1(3) . . . . ?
O3 C9 C11 C12 167.9(2) . . . . ?
O3 C9 C11 C13 -63.1(3) . . . . ?
C1 C2 C3 C4 144.4(3) . . . . ?
C2 O1 C10 O4 -98.8(3) . . . . ?
C2 O1 C10 C9 27.8(3) . . . . ?
C2 O2 O3 C9 47.7(3) . . . . ?
C2 C3 C4 C5 57.0(4) . . . . ?
C3 C4 C5 C7 -169.6(3) . . . . ?
C3 C4 C5 C9 -36.8(4) . . . . ?
C4 C5 C7 Cl1 55.4(3) . . . . ?
C4 C5 C7 C6 -61.5(3) . . . . ?
C4 C5 C7 C8 173.6(3) . . . . ?
C4 C5 C9 O3 69.2(3) . . . . ?
C4 C5 C9 C10 -51.3(3) . . . . ?
C4 C5 C9 C11 -176.9(3) . . . . ?
C5 C7 C8 C12 -48.8(4) . . . . ?
C5 C9 C10 O1 64.4(3) . . . . ?
C5 C9 C10 O4 -173.3(2) . . . . ?
C5 C9 C11 C12 53.4(3) . . . . ?
C5 C9 C11 C13 -177.6(2) . . . . ?
C6 C7 C8 C12 -174.0(3) . . . . ?
C7 C5 C9 O3 -159.0(2) . . . . ?
C7 C5 C9 C10 80.5(3) . . . . ?
C7 C5 C9 C11 -45.1(3) . . . . ?
C7 C8 C12 C11 58.2(3) . . . . ?
C9 C5 C7 Cl1 -76.4(3) . . . . ?
C9 C5 C7 C6 166.7(3) . . . . ?
C9 C5 C7 C8 41.9(3) . . . . ?
C9 C11 C12 C8 -59.4(3) . . . . ?
C9 C11 C13 C14 -48.5(3) . . . . ?
C9 C11 C13 C15 -177.4(3) . . . . ?
C10 O1 C2 O2 34.4(3) . . . . ?
C10 O1 C2 C1 147.0(3) . . . . ?
C10 O1 C2 C3 -88.7(3) . . . . ?
C10 O4 C14 O5 162.6(3) . . . . ?
C10 O4 C14 C13 -22.6(4) . . . . ?
C10 C9 C11 C12 -73.0(3) . . . . ?
C10 C9 C11 C13 56.0(3) . . . . ?
C11 C9 C10 O1 -168.6(2) . . . . ?
C11 C9 C10 O4 -46.3(3) . . . . ?
C11 C13 C14 O4 31.3(4) . . . . ?
C11 C13 C14 O5 -154.2(3) . . . . ?
C12 C11 C13 C14 78.0(3) . . . . ?
C12 C11 C13 C15 -50.9(4) . . . . ?
C13 C11 C12 C8 174.2(3) . . . . ?
C14 O4 C10 O1 156.8(2) . . . . ?
C14 O4 C10 C9 30.3(4) . . . . ?
C15 C13 C14 O4 161.4(3) . . . . ?
C15 C13 C14 O5 -24.2(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
