# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_231201lu_lgpz236168_0m
_database_code_depnum_ccdc_archive 'CCDC 2313103'
loop_
_audit_author_name
_audit_author_address
'Shuyu Li'
;Southwest Minzu University
China
;
_audit_update_record             
;
2023-12-10 deposited with the CCDC.	2023-12-12 downloaded from the CCDC.
;
_audit_creation_date             2023-12-02
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H40 Cu N2 O3'
_chemical_formula_sum            'C24 H40 Cu N2 O3'
_chemical_formula_weight         468.12
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4658(2)
_cell_length_b                   13.3186(4)
_cell_length_c                   13.3608(4)
_cell_angle_alpha                64.1940(10)
_cell_angle_beta                 72.9560(10)
_cell_angle_gamma                82.6500(10)
_cell_volume                     1449.83(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9943
_cell_measurement_temperature    293.20
_cell_measurement_theta_max      27.11
_cell_measurement_theta_min      2.82
_shelx_estimated_absorpt_T_max   0.934
_shelx_estimated_absorpt_T_min   0.906
_exptl_absorpt_coefficient_mu    0.775
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1497 before and 0.0648 after correction.
The Ratio of minimum to maximum transmission is 0.8565.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.072
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             502
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            41825
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.522
_diffrn_reflns_theta_min         2.250
_diffrn_ambient_temperature      293.20
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   TXS
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_type              'Rotaing Anode'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5272
_reflns_number_total             6667
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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 V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX5 V2023.9-2 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (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  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.896
_refine_diff_density_min         -0.298
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         6667
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0464
_refine_ls_restrained_S_all      1.042
_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)+(0.0619P)²+0.6815P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1334
_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 Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C7(H7A,H7B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C12(H12), C14(H14)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C16(H16A,
 H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,H20C),
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C24(H24A,H24B,H24C)
;
_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
Cu1 Cu 0.34868(3) 0.56047(2) 0.31466(2) 0.05071(12) Uani 1 1 d . . . . .
O1 O 0.3501(2) 0.68845(13) 0.34189(15) 0.0596(4) Uani 1 1 d . . . . .
O2 O 0.3964(3) 0.66249(19) 0.15208(18) 0.0832(6) Uani 1 1 d . . . . .
O3 O 0.6220(3) 0.6323(2) 0.1691(2) 0.1059(9) Uani 1 1 d . . . . .
N1 N 0.2679(3) 0.4486(2) 0.2730(2) 0.0661(6) Uani 1 1 d . . . . .
N2 N 0.3276(2) 0.46046(15) 0.47506(17) 0.0452(4) Uani 1 1 d . . . . .
C1 C 0.3616(6) 0.4473(4) 0.1625(4) 0.1218(16) Uani 1 1 d . . . . .
H1A H 0.371063 0.521747 0.102695 0.183 Uiso 1 1 calc R U . . .
H1B H 0.316504 0.400639 0.142378 0.183 Uiso 1 1 calc R U . . .
H1C H 0.457672 0.418548 0.171355 0.183 Uiso 1 1 calc R U . . .
C2 C 0.1272(5) 0.4999(4) 0.2503(5) 0.1120(15) Uani 1 1 d . . . . .
H2A H 0.061779 0.501962 0.319494 0.168 Uiso 1 1 calc R U . . .
H2B H 0.083109 0.456878 0.225441 0.168 Uiso 1 1 calc R U . . .
H2C H 0.144855 0.574524 0.191022 0.168 Uiso 1 1 calc R U . . .
C3 C 0.2547(4) 0.3267(3) 0.3541(3) 0.0826(9) Uani 1 1 d . . . . .
H3A H 0.348362 0.291186 0.334714 0.099 Uiso 1 1 calc R U . . .
H3B H 0.181030 0.294142 0.339682 0.099 Uiso 1 1 calc R U . . .
C4 C 0.2135(3) 0.2968(2) 0.4844(3) 0.0573(6) Uani 1 1 d . . . . .
C5 C 0.2248(4) 0.1689(2) 0.5359(4) 0.0901(11) Uani 1 1 d . . . . .
H5A H 0.323406 0.147374 0.506463 0.135 Uiso 1 1 calc R U . . .
H5B H 0.156154 0.139437 0.514949 0.135 Uiso 1 1 calc R U . . .
H5C H 0.202042 0.139926 0.618349 0.135 Uiso 1 1 calc R U . . .
C6 C 0.0648(3) 0.3288(3) 0.5368(4) 0.0987(13) Uani 1 1 d . . . . .
H6A H 0.048154 0.297697 0.619024 0.148 Uiso 1 1 calc R U . . .
H6B H -0.008303 0.300843 0.518491 0.148 Uiso 1 1 calc R U . . .
H6C H 0.057851 0.408578 0.507074 0.148 Uiso 1 1 calc R U . . .
C7 C 0.3360(3) 0.33944(18) 0.5093(2) 0.0525(6) Uani 1 1 d . . . . .
H7A H 0.329181 0.301510 0.591097 0.063 Uiso 1 1 calc R U . . .
H7B H 0.431138 0.321354 0.468133 0.063 Uiso 1 1 calc R U . . .
C8 C 0.3060(2) 0.49290(18) 0.5562(2) 0.0451(5) Uani 1 1 d . . . . .
H8 H 0.298153 0.436775 0.629963 0.054 Uiso 1 1 calc R U . . .
C9 C 0.2926(2) 0.60500(17) 0.54678(19) 0.0421(5) Uani 1 1 d . . . . .
C10 C 0.3174(2) 0.69831(18) 0.4389(2) 0.0449(5) Uani 1 1 d . . . . .
C11 C 0.3055(3) 0.80786(18) 0.4370(2) 0.0484(5) Uani 1 1 d . . . . .
C12 C 0.2659(3) 0.81472(19) 0.5411(2) 0.0534(6) Uani 1 1 d . . . . .
H12 H 0.256378 0.885596 0.539854 0.064 Uiso 1 1 calc R U . . .
C13 C 0.2383(3) 0.7226(2) 0.6502(2) 0.0504(5) Uani 1 1 d . . . . .
C14 C 0.2547(2) 0.61895(19) 0.6502(2) 0.0469(5) Uani 1 1 d . . . . .
H14 H 0.240442 0.556192 0.720125 0.056 Uiso 1 1 calc R U . . .
C15 C 0.1889(3) 0.7430(2) 0.7604(2) 0.0607(6) Uani 1 1 d . . . . .
C16 C 0.3051(4) 0.8129(3) 0.7604(3) 0.0881(10) Uani 1 1 d . . . . .
H16A H 0.399675 0.777047 0.751174 0.132 Uiso 1 1 calc R U . . .
H16B H 0.278389 0.819909 0.832196 0.132 Uiso 1 1 calc R U . . .
H16C H 0.310257 0.885624 0.697954 0.132 Uiso 1 1 calc R U . . .
C17 C 0.0437(4) 0.8075(3) 0.7622(3) 0.0911(11) Uani 1 1 d . . . . .
H17A H 0.056227 0.875855 0.693434 0.137 Uiso 1 1 calc R U . . .
H17B H 0.015213 0.824051 0.828513 0.137 Uiso 1 1 calc R U . . .
H17C H -0.031605 0.763335 0.765632 0.137 Uiso 1 1 calc R U . . .
C18 C 0.1666(5) 0.6340(3) 0.8688(3) 0.0900(10) Uani 1 1 d . . . . .
H18A H 0.094613 0.589274 0.868810 0.135 Uiso 1 1 calc R U . . .
H18B H 0.132418 0.649674 0.935607 0.135 Uiso 1 1 calc R U . . .
H18C H 0.258556 0.594288 0.870204 0.135 Uiso 1 1 calc R U . . .
C19 C 0.3371(3) 0.91164(19) 0.3216(2) 0.0574(6) Uani 1 1 d . . . . .
C20 C 0.3180(4) 1.0193(2) 0.3396(3) 0.0822(9) Uani 1 1 d . . . . .
H20A H 0.217994 1.024609 0.381436 0.123 Uiso 1 1 calc R U . . .
H20B H 0.340164 1.082410 0.265983 0.123 Uiso 1 1 calc R U . . .
H20C H 0.384089 1.018277 0.382523 0.123 Uiso 1 1 calc R U . . .
C21 C 0.4966(3) 0.9084(2) 0.2518(3) 0.0737(8) Uani 1 1 d . . . . .
H21A H 0.563204 0.910525 0.292933 0.111 Uiso 1 1 calc R U . . .
H21B H 0.514239 0.971592 0.178289 0.111 Uiso 1 1 calc R U . . .
H21C H 0.512288 0.840982 0.240511 0.111 Uiso 1 1 calc R U . . .
C22 C 0.2298(4) 0.9169(2) 0.2532(3) 0.0779(9) Uani 1 1 d . . . . .
H22A H 0.246167 0.854047 0.234005 0.117 Uiso 1 1 calc R U . . .
H22B H 0.245925 0.984600 0.183753 0.117 Uiso 1 1 calc R U . . .
H22C H 0.130108 0.915346 0.299064 0.117 Uiso 1 1 calc R U . . .
C23 C 0.5347(5) 0.6818(3) 0.1148(3) 0.0770(9) Uani 1 1 d . . . . .
C24 C 0.5836(6) 0.7758(4) -0.0043(3) 0.1219(16) Uani 1 1 d . . . . .
H24A H 0.505339 0.793771 -0.041577 0.183 Uiso 1 1 calc R U . . .
H24B H 0.669408 0.752941 -0.049151 0.183 Uiso 1 1 calc R U . . .
H24C H 0.607147 0.840279 0.002348 0.183 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
Cu1 O1 1.8938(17) . ?
Cu1 O2 1.944(2) . ?
Cu1 N1 2.092(2) . ?
Cu1 N2 1.9336(19) . ?
O1 C10 1.302(3) . ?
O2 C23 1.272(4) . ?
O3 C23 1.200(4) . ?
N1 C1 1.489(5) . ?
N1 C2 1.468(4) . ?
N1 C3 1.506(4) . ?
N2 C7 1.470(3) . ?
N2 C8 1.288(3) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.542(5) . ?
C4 C5 1.537(4) . ?
C4 C6 1.477(4) . ?
C4 C7 1.529(3) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8 0.9300 . ?
C8 C9 1.435(3) . ?
C9 C10 1.412(3) . ?
C9 C14 1.410(3) . ?
C10 C11 1.439(3) . ?
C11 C12 1.370(3) . ?
C11 C19 1.536(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.415(3) . ?
C13 C14 1.370(3) . ?
C13 C15 1.540(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.530(4) . ?
C15 C17 1.524(4) . ?
C15 C18 1.522(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.535(4) . ?
C19 C21 1.531(4) . ?
C19 C22 1.529(4) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.515(4) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 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
O1 Cu1 O2 85.71(8) . . ?
O1 Cu1 N1 157.25(10) . . ?
O1 Cu1 N2 92.71(7) . . ?
O2 Cu1 N1 88.40(10) . . ?
N2 Cu1 O2 172.66(10) . . ?
N2 Cu1 N1 95.71(9) . . ?
C10 O1 Cu1 129.81(15) . . ?
C23 O2 Cu1 109.5(2) . . ?
C1 N1 Cu1 111.7(2) . . ?
C1 N1 C3 102.7(3) . . ?
C2 N1 Cu1 102.6(2) . . ?
C2 N1 C1 106.1(3) . . ?
C2 N1 C3 113.5(3) . . ?
C3 N1 Cu1 119.72(18) . . ?
C7 N2 Cu1 119.34(16) . . ?
C8 N2 Cu1 124.07(15) . . ?
C8 N2 C7 116.6(2) . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 108.0 . . ?
N1 C3 H3B 108.0 . . ?
N1 C3 C4 117.3(2) . . ?
H3A C3 H3B 107.2 . . ?
C4 C3 H3A 108.0 . . ?
C4 C3 H3B 108.0 . . ?
C5 C4 C3 101.7(3) . . ?
C6 C4 C3 117.5(3) . . ?
C6 C4 C5 108.9(3) . . ?
C6 C4 C7 112.4(2) . . ?
C7 C4 C3 108.2(2) . . ?
C7 C4 C5 107.1(2) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C4 112.56(19) . . ?
N2 C7 H7A 109.1 . . ?
N2 C7 H7B 109.1 . . ?
C4 C7 H7A 109.1 . . ?
C4 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
N2 C8 H8 116.0 . . ?
N2 C8 C9 127.9(2) . . ?
C9 C8 H8 116.0 . . ?
C10 C9 C8 122.0(2) . . ?
C14 C9 C8 117.3(2) . . ?
C14 C9 C10 120.78(19) . . ?
O1 C10 C9 122.4(2) . . ?
O1 C10 C11 119.3(2) . . ?
C9 C10 C11 118.4(2) . . ?
C10 C11 C19 120.2(2) . . ?
C12 C11 C10 117.4(2) . . ?
C12 C11 C19 122.4(2) . . ?
C11 C12 H12 117.4 . . ?
C11 C12 C13 125.2(2) . . ?
C13 C12 H12 117.4 . . ?
C12 C13 C15 119.5(2) . . ?
C14 C13 C12 116.5(2) . . ?
C14 C13 C15 124.0(2) . . ?
C9 C14 H14 119.2 . . ?
C13 C14 C9 121.7(2) . . ?
C13 C14 H14 119.2 . . ?
C16 C15 C13 109.7(2) . . ?
C17 C15 C13 109.1(2) . . ?
C17 C15 C16 108.4(3) . . ?
C18 C15 C13 111.7(2) . . ?
C18 C15 C16 109.0(3) . . ?
C18 C15 C17 108.8(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C11 111.5(2) . . ?
C21 C19 C11 109.9(2) . . ?
C21 C19 C20 107.6(2) . . ?
C22 C19 C11 110.1(2) . . ?
C22 C19 C20 107.6(2) . . ?
C22 C19 C21 110.1(3) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O2 C23 C24 115.1(4) . . ?
O3 C23 O2 123.8(3) . . ?
O3 C23 C24 121.1(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 273.4 50.4 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
