# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 2071007'
loop_
_audit_author_name
_audit_author_address
'Yun-Hu Deng'
;Lanzhou Jiaotong University
China
;
_audit_update_record             
;
2021-03-17 deposited with the CCDC.	2021-04-13 downloaded from the CCDC.
;
_audit_creation_date             2021-01-06
_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         'C44 H36 Cu4 N4 O16, 2(H2 O), C H4 O'
_chemical_formula_sum            'C45 H44 Cu4 N4 O19'
_chemical_formula_weight         1199.00
_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'
Cu Cu 0.3201 1.2651 '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      tetragonal
_space_group_IT_number           86
_space_group_name_H-M_alt        'P 42/n'
_space_group_name_Hall           '-P 4bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -z-1/2'

_cell_length_a                   19.1223(3)
_cell_length_b                   19.1223(3)
_cell_length_c                   12.5887(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4603.21(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9509
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.70
_cell_measurement_theta_min      2.67
_shelx_estimated_absorpt_T_max   0.750
_shelx_estimated_absorpt_T_min   0.713
_exptl_absorpt_coefficient_mu    1.908
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6949
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0163
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            57931
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.753
_diffrn_reflns_theta_min         2.210
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4201
_reflns_number_total             4881
_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  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.083
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         4881
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0777P)²+7.9700P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1419
_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, All O(H,H) groups
2. Restrained distances
 O10-C23
 1.45 with sigma of 0.01
 O8-H8
 0.87 with sigma of 0.01
 C22-H8
 1.914227 with sigma of 0.02
 Cu1-H8
 2.839735 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O10 \\sim C23: within 3.8A with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C23) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: O10(0.5) H10(0.5) C23(0.5) H23a(0.5) H23b(0.5) H23c(0.5)
5.a Riding coordinates:
 O9(H9a,H9b)
5.b Secondary CH2 refined with riding coordinates:
 C14(H14a,H14b), C13(H13a,H13b)
5.c Aromatic/amide H refined with riding coordinates:
 C21(H21), C15(H15), C12(H12), C8(H8a), C5(H5), C7(H7), C6(H6), C20(H20),
 C11(H11), C19(H19)
5.d Idealised Me refined as rotating group:
 C22(H22a,H22b,H22c), C23(H23a,H23b,H23c)
5.e Idealised tetrahedral OH refined as rotating group:
 O10(H10)
;
_atom_sites_solution_hydrogens   mixed
_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
Cu1 Cu 0.80917(2) 0.40612(2) 0.67638(3) 0.03384(15) Uani 1 1 d D . . . .
Cu2 Cu 0.750000 0.250000 0.79085(5) 0.03484(17) Uani 1 2 d S T P . .
Cu3 Cu 0.750000 0.250000 0.56180(5) 0.03359(17) Uani 1 2 d S T P . .
O2 O 0.82023(12) 0.32325(13) 0.77029(19) 0.0346(5) Uani 1 1 d . . . . .
O6 O 0.74451(12) 0.35223(12) 0.58810(18) 0.0320(5) Uani 1 1 d . . . . .
O1 O 0.82793(13) 0.19008(14) 0.8072(2) 0.0400(6) Uani 1 1 d . . . . .
O7 O 0.65301(14) 0.25460(13) 0.5446(2) 0.0452(6) Uani 1 1 d . . . . .
O8 O 0.89542(13) 0.37482(14) 0.5514(2) 0.0400(6) Uani 1 1 d D . . . .
H8 H 0.8861(12) 0.3331(12) 0.525(3) 0.060 Uiso 1 1 d DR . . . .
O4 O 0.88338(14) 0.52016(14) 0.7912(2) 0.0422(6) Uani 1 1 d . . . . .
O5 O 0.80163(14) 0.55932(13) 0.6151(2) 0.0457(6) Uani 1 1 d . . . . .
O3 O 1.00181(15) 0.07685(16) 0.8430(3) 0.0524(7) Uani 1 1 d . . . . .
N1 N 0.88416(15) 0.44840(15) 0.7622(2) 0.0358(6) Uani 1 1 d . . . . .
N2 N 0.76863(15) 0.49391(15) 0.6152(2) 0.0353(6) Uani 1 1 d . . . . .
C17 C 0.67731(17) 0.37303(18) 0.5762(2) 0.0312(7) Uani 1 1 d . . . . .
C16 C 0.65561(18) 0.44255(19) 0.5812(3) 0.0334(7) Uani 1 1 d . . . . .
C9 C 1.01491(18) 0.2347(2) 0.8353(3) 0.0355(7) Uani 1 1 d . . . . .
C2 C 0.88446(17) 0.29862(19) 0.7924(3) 0.0332(7) Uani 1 1 d . . . . .
C1 C 0.88833(18) 0.2240(2) 0.8099(3) 0.0349(7) Uani 1 1 d . . . . .
C4 C 1.01038(18) 0.3083(2) 0.8238(3) 0.0347(7) Uani 1 1 d . . . . .
C21 C 0.58384(19) 0.4582(2) 0.5706(3) 0.0380(8) Uani 1 1 d . . . . .
H21 H 0.568549 0.505456 0.573918 0.046 Uiso 1 1 calc R . . . .
C15 C 0.70395(18) 0.50018(19) 0.5900(3) 0.0358(7) Uani 1 1 d . . . . .
H15 H 0.686694 0.545881 0.576261 0.043 Uiso 1 1 calc R . . . .
C12 C 0.93586(19) 0.4155(2) 0.8045(3) 0.0371(8) Uani 1 1 d . . . . .
H12 H 0.971335 0.442122 0.838551 0.045 Uiso 1 1 calc R . . . .
C3 C 0.94275(18) 0.3402(2) 0.8029(3) 0.0342(7) Uani 1 1 d . . . . .
C8 C 1.08148(19) 0.2054(2) 0.8563(3) 0.0432(9) Uani 1 1 d . . . . .
H8A H 1.085822 0.156232 0.864446 0.052 Uiso 1 1 calc R . . . .
C5 C 1.0717(2) 0.3492(2) 0.8286(3) 0.0425(9) Uani 1 1 d . . . . .
H5 H 1.068807 0.398104 0.815775 0.051 Uiso 1 1 calc R . . . .
C10 C 0.95271(19) 0.1923(2) 0.8264(3) 0.0355(8) Uani 1 1 d . . . . .
C18 C 0.6281(2) 0.31952(19) 0.5551(3) 0.0375(8) Uani 1 1 d . . . . .
C7 C 1.1402(2) 0.2469(2) 0.8652(4) 0.0489(10) Uani 1 1 d . . . . .
H7 H 1.184105 0.226136 0.880687 0.059 Uiso 1 1 calc R . . . .
O9 O 0.7285(2) 0.4379(2) 0.8315(3) 0.0753(10) Uani 1 1 d . . . . .
H9A H 0.772815 0.427679 0.834436 0.113 Uiso 1 1 d R . . . .
H9B H 0.711615 0.409389 0.784135 0.113 Uiso 1 1 d R . . . .
C6 C 1.1356(2) 0.3197(2) 0.8515(4) 0.0481(9) Uani 1 1 d . . . . .
H6 H 1.176092 0.348146 0.857996 0.058 Uiso 1 1 calc R . . . .
C20 C 0.53579(19) 0.4054(2) 0.5554(3) 0.0417(8) Uani 1 1 d . . . . .
H20 H 0.487415 0.416277 0.550526 0.050 Uiso 1 1 calc R . . . .
C14 C 0.8761(2) 0.5525(2) 0.6026(3) 0.0459(9) Uani 1 1 d . . . . .
H14A H 0.893059 0.587791 0.551142 0.055 Uiso 1 1 calc R . . . .
H14B H 0.887227 0.505555 0.574203 0.055 Uiso 1 1 calc R . . . .
C11 C 0.9525(2) 0.1158(2) 0.8282(3) 0.0420(8) Uani 1 1 d . . . . .
H11 H 0.908585 0.093946 0.816463 0.050 Uiso 1 1 calc R . . . .
C13 C 0.9125(2) 0.5628(2) 0.7081(3) 0.0462(9) Uani 1 1 d . . . . .
H13A H 0.962729 0.551257 0.699846 0.055 Uiso 1 1 calc R . . . .
H13B H 0.909102 0.612562 0.728914 0.055 Uiso 1 1 calc R . . . .
C22 C 0.9698(2) 0.3802(2) 0.5434(4) 0.0490(10) Uani 1 1 d D . . . .
H22A H 0.983928 0.373926 0.469145 0.073 Uiso 1 1 calc GR . . . .
H22B H 0.991623 0.343962 0.587265 0.073 Uiso 1 1 calc GR . . . .
H22C H 0.984756 0.426415 0.568151 0.073 Uiso 1 1 calc GR . . . .
C19 C 0.5580(2) 0.3358(2) 0.5472(3) 0.0428(9) Uani 1 1 d . . . . .
H19 H 0.524697 0.299654 0.536258 0.051 Uiso 1 1 calc R . . . .
O10 O 0.7278(5) 0.5847(5) 0.8647(11) 0.106(3) Uani 0.5 1 d D U . . .
H10 H 0.750868 0.548927 0.881180 0.160 Uiso 0.5 1 calc GR . . . .
C23 C 0.7650(6) 0.6429(6) 0.8906(12) 0.086(3) Uani 0.5 1 d D U . . .
H23A H 0.758901 0.678360 0.835199 0.129 Uiso 0.5 1 calc GR . . . .
H23B H 0.814670 0.630855 0.896658 0.129 Uiso 0.5 1 calc GR . . . .
H23C H 0.748270 0.661364 0.958622 0.129 Uiso 0.5 1 calc GR . . . .


_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
Cu1 O2 1.988(2) . ?
Cu1 O6 1.956(2) . ?
Cu1 O8 2.357(2) . ?
Cu1 N1 1.969(3) . ?
Cu1 N2 2.003(3) . ?
Cu2 Cu3 2.8834(9) . ?
Cu2 O2 1.958(2) 2_655 ?
Cu2 O2 1.958(2) . ?
Cu2 O1 1.891(3) . ?
Cu2 O1 1.891(3) 2_655 ?
Cu3 O6 1.985(2) 2_655 ?
Cu3 O6 1.985(2) . ?
Cu3 O7 1.869(3) . ?
Cu3 O7 1.869(3) 2_655 ?
O2 C2 1.344(4) . ?
O6 C17 1.354(4) . ?
O1 C1 1.325(4) . ?
O7 C18 1.336(4) . ?
O8 H8 0.881(10) . ?
O8 C22 1.429(4) . ?
O4 N1 1.420(4) . ?
O4 C13 1.439(5) . ?
O5 N2 1.401(4) . ?
O5 C14 1.438(5) . ?
O3 C11 1.216(5) . ?
N1 C12 1.287(5) . ?
N2 C15 1.282(5) . ?
C17 C16 1.394(5) . ?
C17 C18 1.416(5) . ?
C16 C21 1.411(5) . ?
C16 C15 1.443(5) . ?
C9 C4 1.418(5) . ?
C9 C8 1.416(5) . ?
C9 C10 1.444(5) . ?
C2 C1 1.446(5) . ?
C2 C3 1.375(5) . ?
C1 C10 1.388(5) . ?
C4 C3 1.453(5) . ?
C4 C5 1.410(5) . ?
C21 H21 0.9500 . ?
C21 C20 1.379(5) . ?
C15 H15 0.9500 . ?
C12 H12 0.9500 . ?
C12 C3 1.447(5) . ?
C8 H8A 0.9500 . ?
C8 C7 1.379(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.377(5) . ?
C10 C11 1.463(5) . ?
C18 C19 1.378(5) . ?
C7 H7 0.9500 . ?
C7 C6 1.404(6) . ?
O9 H9A 0.8698 . ?
O9 H9B 0.8700 . ?
C6 H6 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.402(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C13 1.513(6) . ?
C11 H11 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C19 H19 0.9500 . ?
O10 H10 0.8400 . ?
O10 C23 1.360(8) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 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
O2 Cu1 O8 96.90(10) . . ?
O2 Cu1 N2 159.66(11) . . ?
O6 Cu1 O2 89.15(10) . . ?
O6 Cu1 O8 85.94(9) . . ?
O6 Cu1 N1 171.28(11) . . ?
O6 Cu1 N2 88.77(11) . . ?
N1 Cu1 O2 85.62(11) . . ?
N1 Cu1 O8 87.76(11) . . ?
N1 Cu1 N2 98.54(12) . . ?
N2 Cu1 O8 103.13(11) . . ?
O2 Cu2 Cu3 82.40(7) . . ?
O2 Cu2 Cu3 82.40(7) 2_655 . ?
O2 Cu2 O2 164.80(15) 2_655 . ?
O1 Cu2 Cu3 96.23(8) . . ?
O1 Cu2 Cu3 96.23(8) 2_655 . ?
O1 Cu2 O2 96.97(10) 2_655 . ?
O1 Cu2 O2 84.68(10) 2_655 2_655 ?
O1 Cu2 O2 96.98(10) . 2_655 ?
O1 Cu2 O2 84.68(10) . . ?
O1 Cu2 O1 167.54(16) 2_655 . ?
O6 Cu3 Cu2 80.40(7) . . ?
O6 Cu3 Cu2 80.40(7) 2_655 . ?
O6 Cu3 O6 160.80(14) . 2_655 ?
O7 Cu3 Cu2 96.64(9) . . ?
O7 Cu3 Cu2 96.64(9) 2_655 . ?
O7 Cu3 O6 96.79(10) . 2_655 ?
O7 Cu3 O6 96.78(10) 2_655 . ?
O7 Cu3 O6 85.44(10) . . ?
O7 Cu3 O6 85.44(10) 2_655 2_655 ?
O7 Cu3 O7 166.71(19) . 2_655 ?
Cu2 O2 Cu1 125.16(12) . . ?
C2 O2 Cu1 120.0(2) . . ?
C2 O2 Cu2 110.4(2) . . ?
Cu1 O6 Cu3 125.45(12) . . ?
C17 O6 Cu1 120.6(2) . . ?
C17 O6 Cu3 108.7(2) . . ?
C1 O1 Cu2 113.1(2) . . ?
C18 O7 Cu3 112.7(2) . . ?
Cu1 O8 H8 109.8(14) . . ?
C22 O8 Cu1 136.5(2) . . ?
C22 O8 H8 103.8(14) . . ?
N1 O4 C13 110.8(3) . . ?
N2 O5 C14 111.4(3) . . ?
O4 N1 Cu1 122.0(2) . . ?
C12 N1 Cu1 125.9(3) . . ?
C12 N1 O4 111.9(3) . . ?
O5 N2 Cu1 125.1(2) . . ?
C15 N2 Cu1 123.1(2) . . ?
C15 N2 O5 110.5(3) . . ?
O6 C17 C16 123.9(3) . . ?
O6 C17 C18 116.1(3) . . ?
C16 C17 C18 120.0(3) . . ?
C17 C16 C21 119.2(3) . . ?
C17 C16 C15 122.8(3) . . ?
C21 C16 C15 117.9(3) . . ?
C4 C9 C10 120.0(3) . . ?
C8 C9 C4 117.8(3) . . ?
C8 C9 C10 122.2(4) . . ?
O2 C2 C1 115.1(3) . . ?
O2 C2 C3 123.9(3) . . ?
C3 C2 C1 120.9(3) . . ?
O1 C1 C2 115.8(3) . . ?
O1 C1 C10 124.3(4) . . ?
C10 C1 C2 120.0(3) . . ?
C9 C4 C3 119.3(3) . . ?
C5 C4 C9 119.7(3) . . ?
C5 C4 C3 121.0(3) . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.4(3) . . ?
C20 C21 H21 119.8 . . ?
N2 C15 C16 124.4(3) . . ?
N2 C15 H15 117.8 . . ?
C16 C15 H15 117.8 . . ?
N1 C12 H12 118.3 . . ?
N1 C12 C3 123.4(3) . . ?
C3 C12 H12 118.3 . . ?
C2 C3 C4 119.8(3) . . ?
C2 C3 C12 120.2(3) . . ?
C12 C3 C4 119.7(3) . . ?
C9 C8 H8A 119.4 . . ?
C7 C8 C9 121.3(4) . . ?
C7 C8 H8A 119.4 . . ?
C4 C5 H5 119.4 . . ?
C6 C5 C4 121.3(4) . . ?
C6 C5 H5 119.4 . . ?
C9 C10 C11 124.2(3) . . ?
C1 C10 C9 119.8(3) . . ?
C1 C10 C11 115.9(3) . . ?
O7 C18 C17 116.9(3) . . ?
O7 C18 C19 123.3(4) . . ?
C19 C18 C17 119.8(3) . . ?
C8 C7 H7 119.7 . . ?
C8 C7 C6 120.6(4) . . ?
C6 C7 H7 119.7 . . ?
H9A O9 H9B 104.5 . . ?
C5 C6 C7 119.2(4) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
C21 C20 H20 119.9 . . ?
C21 C20 C19 120.3(3) . . ?
C19 C20 H20 119.9 . . ?
O5 C14 H14A 109.6 . . ?
O5 C14 H14B 109.6 . . ?
O5 C14 C13 110.4(3) . . ?
H14A C14 H14B 108.1 . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
O3 C11 C10 127.8(4) . . ?
O3 C11 H11 116.1 . . ?
C10 C11 H11 116.1 . . ?
O4 C13 C14 112.7(3) . . ?
O4 C13 H13A 109.0 . . ?
O4 C13 H13B 109.0 . . ?
C14 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
O8 C22 H22A 109.5 . . ?
O8 C22 H22B 109.5 . . ?
O8 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C19 C20 120.2(4) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C23 O10 H10 109.5 . . ?
O10 C23 H23A 109.5 . . ?
O10 C23 H23B 109.5 . . ?
O10 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
