# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_111
_database_code_depnum_ccdc_archive 'CCDC 2031057'
loop_
_audit_author_name
_audit_author_address
'Hui Gao'
;CCDC
China
;
_audit_update_record             
;
2020-09-09 deposited with the CCDC.	2020-09-11 downloaded from the CCDC.
;
_audit_creation_date             2020-07-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C11 H12 O5)'
_chemical_formula_sum            'C44 H48 O20'
_chemical_formula_weight         896.82
_chemical_absolute_configuration ?
_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                   8.3520(9)
_cell_length_b                   5.7066(6)
_cell_length_c                   22.623(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.450(3)
_cell_angle_gamma                90
_cell_volume                     1077.90(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9629
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.451
_cell_measurement_theta_min      2.439
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.973
_exptl_absorpt_coefficient_mu    0.110
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1013 before and 0.0609 after correction.
The Ratio of minimum to maximum transmission is 0.8613.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             472
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0324
_diffrn_reflns_Laue_measured_fraction_full 0.992
_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       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16076
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.550
_diffrn_reflns_theta_min         0.900
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.803
_reflns_Friedel_fraction_full    0.982
_reflns_Friedel_fraction_max     0.977
_reflns_number_gt                3975
_reflns_number_total             4909
_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 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.256
_refine_diff_density_min         -0.194
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details 
;
 Flack x determined using 1518 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         4909
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0450
_refine_ls_restrained_S_all      0.961
_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)+(0.1033P)²+0.0981P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1507
_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 Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C10(H10A,H10B), C21(H21A,H21B), C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7), C5(H5A), C8(H8), C19(H19), C16(H16), C15(H15), C18(H18)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C12(H12A,H12B,H12C)
2.d Idealised tetrahedral OH refined as rotating group:
 O5(H5), O10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
O4 O -0.2031(2) 0.0728(4) -0.13839(8) 0.0484(5) Uani 1 1 d . . . . .
O1 O -0.6176(3) 0.3342(4) -0.39390(8) 0.0562(5) Uani 1 1 d . . . . .
O5 O 0.0144(2) 0.4141(5) -0.08397(10) 0.0646(6) Uani 1 1 d . . . . .
H5 H -0.030150 0.469159 -0.113550 0.097 Uiso 1 1 calc GR . . . .
O2 O -0.5774(4) -0.0221(5) -0.43153(9) 0.0717(7) Uani 1 1 d . . . . .
O3 O -0.1632(3) -0.3000(4) -0.16573(11) 0.0687(7) Uani 1 1 d . . . . .
C1 C -0.6955(4) 0.4036(7) -0.44912(13) 0.0640(9) Uani 1 1 d . . . . .
H1A H -0.623812 0.378599 -0.481039 0.096 Uiso 1 1 calc GR . . . .
H1B H -0.723555 0.566530 -0.447337 0.096 Uiso 1 1 calc GR . . . .
H1C H -0.790557 0.311687 -0.455580 0.096 Uiso 1 1 calc GR . . . .
C3 C -0.4787(3) 0.0618(5) -0.33415(11) 0.0387(5) Uani 1 1 d . . . . .
C9 C -0.2195(3) -0.1077(5) -0.17509(12) 0.0435(6) Uani 1 1 d . . . . .
C2 C -0.5633(3) 0.1154(6) -0.39165(11) 0.0453(6) Uani 1 1 d . . . . .
C4 C -0.4730(3) 0.2214(5) -0.28776(11) 0.0422(6) Uani 1 1 d . . . . .
H4 H -0.525467 0.364460 -0.291788 0.051 Uiso 1 1 calc R . . . .
C6 C -0.3129(3) -0.0453(5) -0.22969(11) 0.0384(6) Uani 1 1 d . . . . .
C7 C -0.3198(3) -0.2071(5) -0.27581(13) 0.0488(6) Uani 1 1 d . . . . .
H7 H -0.268408 -0.350970 -0.271746 0.059 Uiso 1 1 calc R . . . .
C11 C -0.0935(4) 0.2664(7) -0.05434(12) 0.0569(8) Uani 1 1 d . . . . .
H11A H -0.197023 0.342888 -0.052976 0.068 Uiso 1 1 calc R . . . .
H11B H -0.054883 0.243524 -0.013954 0.068 Uiso 1 1 calc R . . . .
C10 C -0.1133(3) 0.0337(6) -0.08338(12) 0.0528(7) Uani 1 1 d . . . . .
H10A H -0.009514 -0.034179 -0.091265 0.063 Uiso 1 1 calc R . . . .
H10B H -0.170982 -0.072379 -0.058069 0.063 Uiso 1 1 calc R . . . .
C5 C -0.3900(3) 0.1698(5) -0.23559(11) 0.0427(6) Uani 1 1 d . . . . .
H5A H -0.385963 0.277837 -0.204811 0.051 Uiso 1 1 calc R . . . .
C8 C -0.4033(3) -0.1532(5) -0.32773(12) 0.0484(6) Uani 1 1 d . . . . .
H8 H -0.408732 -0.261712 -0.358382 0.058 Uiso 1 1 calc R . . . .
O9 O 0.2996(3) -0.0151(5) -0.13934(9) 0.0577(6) Uani 1 1 d . . . . .
O6 O -0.1144(3) 0.3321(4) -0.39022(9) 0.0622(6) Uani 1 1 d . . . . .
O7 O -0.0781(4) -0.0137(5) -0.43319(10) 0.0826(8) Uani 1 1 d . . . . .
O10 O 0.3043(3) 0.2645(7) -0.03230(10) 0.0854(9) Uani 1 1 d . . . . .
H10 H 0.238291 0.297973 -0.058388 0.128 Uiso 1 1 calc GR . . . .
C19 C 0.0981(4) -0.1738(6) -0.33289(13) 0.0547(7) Uani 1 1 d . . . . .
H19 H 0.091659 -0.273027 -0.365469 0.066 Uiso 1 1 calc R . . . .
O8 O 0.3443(4) -0.3707(5) -0.17637(13) 0.0862(9) Uani 1 1 d . . . . .
C12 C -0.1938(5) 0.4133(8) -0.44399(14) 0.0698(10) Uani 1 1 d . . . . .
H12A H -0.122819 0.397162 -0.476455 0.105 Uiso 1 1 calc GR . . . .
H12B H -0.222844 0.575068 -0.439638 0.105 Uiso 1 1 calc GR . . . .
H12C H -0.288516 0.321641 -0.451559 0.105 Uiso 1 1 calc GR . . . .
C21 C 0.3945(4) -0.0733(7) -0.08691(14) 0.0633(9) Uani 1 1 d . . . . .
H21A H 0.491694 -0.154423 -0.097563 0.076 Uiso 1 1 calc R . . . .
H21B H 0.334237 -0.173341 -0.060900 0.076 Uiso 1 1 calc R . . . .
C22 C 0.4341(4) 0.1550(9) -0.05710(15) 0.0735(11) Uani 1 1 d . . . . .
H22A H 0.514776 0.126987 -0.026316 0.088 Uiso 1 1 calc R . . . .
H22B H 0.480081 0.259855 -0.085827 0.088 Uiso 1 1 calc R . . . .
C13 C -0.0609(4) 0.1125(6) -0.39109(12) 0.0510(7) Uani 1 1 d . . . . .
C14 C 0.0247(3) 0.0431(5) -0.33535(12) 0.0449(6) Uani 1 1 d . . . . .
C20 C 0.2846(3) -0.1790(6) -0.18068(14) 0.0511(7) Uani 1 1 d . . . . .
C17 C 0.1922(3) -0.0966(5) -0.23355(12) 0.0434(6) Uani 1 1 d . . . . .
C16 C 0.1177(3) 0.1209(5) -0.23559(12) 0.0459(6) Uani 1 1 d . . . . .
H16 H 0.124252 0.219798 -0.202946 0.055 Uiso 1 1 calc R . . . .
C15 C 0.0339(3) 0.1907(5) -0.28607(11) 0.0456(6) Uani 1 1 d . . . . .
H15 H -0.016372 0.336088 -0.287241 0.055 Uiso 1 1 calc R . . . .
C18 C 0.1809(4) -0.2441(5) -0.28237(14) 0.0541(7) Uani 1 1 d . . . . .
H18 H 0.229405 -0.390731 -0.280992 0.065 Uiso 1 1 calc R . . . .


_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
O4 C9 1.328(4) . ?
O4 C10 1.454(3) . ?
O1 C1 1.449(3) . ?
O1 C2 1.329(4) . ?
O5 H5 0.8200 . ?
O5 C11 1.415(4) . ?
O2 C2 1.199(4) . ?
O3 C9 1.210(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C3 C2 1.496(3) . ?
C3 C4 1.390(4) . ?
C3 C8 1.385(4) . ?
C9 C6 1.487(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.385(3) . ?
C6 C7 1.393(4) . ?
C6 C5 1.391(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.385(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C10 1.489(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C5 H5A 0.9300 . ?
C8 H8 0.9300 . ?
O9 C21 1.448(3) . ?
O9 C20 1.326(4) . ?
O6 C12 1.447(4) . ?
O6 C13 1.331(4) . ?
O7 C13 1.200(4) . ?
O10 H10 0.8200 . ?
O10 C22 1.382(4) . ?
C19 H19 0.9300 . ?
C19 C14 1.382(4) . ?
C19 C18 1.380(4) . ?
O8 C20 1.205(4) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.500(6) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C13 C14 1.487(4) . ?
C14 C15 1.398(4) . ?
C20 C17 1.484(4) . ?
C17 C16 1.388(4) . ?
C17 C18 1.390(4) . ?
C16 H16 0.9300 . ?
C16 C15 1.383(4) . ?
C15 H15 0.9300 . ?
C18 H18 0.9300 . ?

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
C9 O4 C10 117.3(2) . . ?
C2 O1 C1 115.8(2) . . ?
C11 O5 H5 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C3 C2 121.9(2) . . ?
C8 C3 C2 118.4(2) . . ?
C8 C3 C4 119.7(2) . . ?
O4 C9 C6 112.1(2) . . ?
O3 C9 O4 124.1(3) . . ?
O3 C9 C6 123.7(3) . . ?
O1 C2 C3 112.3(2) . . ?
O2 C2 O1 124.0(3) . . ?
O2 C2 C3 123.7(3) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(3) . . ?
C5 C4 H4 119.6 . . ?
C7 C6 C9 118.3(2) . . ?
C5 C6 C9 121.5(2) . . ?
C5 C6 C7 120.2(2) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 C6 119.9(3) . . ?
C8 C7 H7 120.1 . . ?
O5 C11 H11A 109.0 . . ?
O5 C11 H11B 109.0 . . ?
O5 C11 C10 112.8(2) . . ?
H11A C11 H11B 107.8 . . ?
C10 C11 H11A 109.0 . . ?
C10 C11 H11B 109.0 . . ?
O4 C10 C11 106.9(2) . . ?
O4 C10 H10A 110.3 . . ?
O4 C10 H10B 110.3 . . ?
C11 C10 H10A 110.3 . . ?
C11 C10 H10B 110.3 . . ?
H10A C10 H10B 108.6 . . ?
C4 C5 C6 119.3(2) . . ?
C4 C5 H5A 120.3 . . ?
C6 C5 H5A 120.3 . . ?
C3 C8 C7 120.2(2) . . ?
C3 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C20 O9 C21 117.1(3) . . ?
C13 O6 C12 115.9(3) . . ?
C22 O10 H10 109.5 . . ?
C14 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C14 120.4(3) . . ?
O6 C12 H12A 109.5 . . ?
O6 C12 H12B 109.5 . . ?
O6 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O9 C21 H21A 110.5 . . ?
O9 C21 H21B 110.5 . . ?
O9 C21 C22 106.2(3) . . ?
H21A C21 H21B 108.7 . . ?
C22 C21 H21A 110.5 . . ?
C22 C21 H21B 110.5 . . ?
O10 C22 C21 114.2(3) . . ?
O10 C22 H22A 108.7 . . ?
O10 C22 H22B 108.7 . . ?
C21 C22 H22A 108.7 . . ?
C21 C22 H22B 108.7 . . ?
H22A C22 H22B 107.6 . . ?
O6 C13 C14 113.1(2) . . ?
O7 C13 O6 122.9(3) . . ?
O7 C13 C14 124.0(3) . . ?
C19 C14 C13 118.4(2) . . ?
C19 C14 C15 119.5(3) . . ?
C15 C14 C13 122.1(3) . . ?
O9 C20 C17 112.5(3) . . ?
O8 C20 O9 123.5(3) . . ?
O8 C20 C17 124.0(3) . . ?
C16 C17 C20 122.2(2) . . ?
C16 C17 C18 119.6(3) . . ?
C18 C17 C20 118.2(3) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 C17 120.1(2) . . ?
C15 C16 H16 119.9 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C19 C18 C17 120.3(3) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?

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
O4 C9 C6 C7 170.8(2) . . . . ?
O4 C9 C6 C5 -8.2(3) . . . . ?
O5 C11 C10 O4 -70.9(3) . . . . ?
O3 C9 C6 C7 -8.2(4) . . . . ?
O3 C9 C6 C5 172.8(3) . . . . ?
C1 O1 C2 O2 -1.0(4) . . . . ?
C1 O1 C2 C3 177.5(2) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C9 O4 C10 C11 172.6(2) . . . . ?
C9 C6 C7 C8 -178.8(2) . . . . ?
C9 C6 C5 C4 178.8(2) . . . . ?
C2 C3 C4 C5 -178.2(2) . . . . ?
C2 C3 C8 C7 178.2(2) . . . . ?
C4 C3 C2 O1 5.3(3) . . . . ?
C4 C3 C2 O2 -176.2(3) . . . . ?
C4 C3 C8 C7 -1.3(4) . . . . ?
C6 C7 C8 C3 0.6(4) . . . . ?
C7 C6 C5 C4 -0.2(4) . . . . ?
C10 O4 C9 O3 -0.8(4) . . . . ?
C10 O4 C9 C6 -179.8(2) . . . . ?
C5 C6 C7 C8 0.2(4) . . . . ?
C8 C3 C2 O1 -174.2(2) . . . . ?
C8 C3 C2 O2 4.3(4) . . . . ?
C8 C3 C4 C5 1.3(4) . . . . ?
O9 C21 C22 O10 69.7(4) . . . . ?
O9 C20 C17 C16 -6.0(4) . . . . ?
O9 C20 C17 C18 173.9(2) . . . . ?
O6 C13 C14 C19 -174.3(2) . . . . ?
O6 C13 C14 C15 5.1(4) . . . . ?
O7 C13 C14 C19 4.4(4) . . . . ?
O7 C13 C14 C15 -176.1(3) . . . . ?
C19 C14 C15 C16 0.8(4) . . . . ?
O8 C20 C17 C16 176.4(3) . . . . ?
O8 C20 C17 C18 -3.7(5) . . . . ?
C12 O6 C13 O7 -0.9(4) . . . . ?
C12 O6 C13 C14 177.9(3) . . . . ?
C21 O9 C20 O8 0.5(5) . . . . ?
C21 O9 C20 C17 -177.1(2) . . . . ?
C13 C14 C15 C16 -178.6(2) . . . . ?
C14 C19 C18 C17 -0.4(4) . . . . ?
C20 O9 C21 C22 163.2(3) . . . . ?
C20 C17 C16 C15 179.5(2) . . . . ?
C20 C17 C18 C19 -179.1(3) . . . . ?
C17 C16 C15 C14 -0.4(4) . . . . ?
C16 C17 C18 C19 0.9(4) . . . . ?
C18 C19 C14 C13 179.0(3) . . . . ?
C18 C19 C14 C15 -0.4(4) . . . . ?
C18 C17 C16 C15 -0.5(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
