# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_HuangB-6
_database_code_depnum_ccdc_archive 'CCDC 2175760'
loop_
_audit_author_name
_audit_author_address
'Yuanjun Sun'
;Soochow university
China
;
_audit_update_record             
;
2022-05-30 deposited with the CCDC.	2022-11-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT340_HuangB-6            
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.01195 Ang.
RESPONSE: Probably because the data is collected at room temperature.
;
# Added during the CSD deposition process: Monday 30 May 2022 11:47 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H23 Cl4 N O10'
_chemical_formula_sum            'C23 H23 Cl4 N O10'
_chemical_formula_weight         615.22

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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'

_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. 
;

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                   8.1465(3)
_cell_length_b                   8.8611(3)
_cell_length_c                   38.0503(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2746.74(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    290(2)
_cell_measurement_reflns_used    4060
_cell_measurement_theta_min      4.6
_cell_measurement_theta_max      77.3

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_F_000             1264
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    4.406
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.298
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) 
(compiled Aug  2 2013,16:46:58) 
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      290(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4471
_diffrn_reflns_number            12532
_diffrn_reflns_av_unetI/netI     0.1157
_diffrn_reflns_av_R_equivalents  0.0821
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_theta_min         4.648
_diffrn_reflns_theta_max         77.381
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.937
_diffrn_reflns_point_group_measured_fraction_full 0.968
_reflns_number_total             5481
_reflns_number_gt                4637
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.638
_reflns_Friedel_fraction_max     0.858
_reflns_Friedel_fraction_full    0.925

_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. 
;

_computing_data_collection       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) 
(compiled Aug  2 2013,16:46:58) 
;
_computing_cell_refinement       
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) 
(compiled Aug  2 2013,16:46:58) 
;
_computing_data_reduction        
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) 
(compiled Aug  2 2013,16:46:58) 
;
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0010P)²+4.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'direct method'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 1471 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.015(18)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5481
_refine_ls_number_parameters     348
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0753
_refine_ls_wR_factor_ref         0.1782
_refine_ls_wR_factor_gt          0.1614
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_restrained_S_all      1.137
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.6332(3) 0.7681(2) 0.79395(5) 0.0471(4) Uani 1 1 d . . . . .
Cl2 Cl 0.4696(3) 0.5069(3) 0.83655(5) 0.0594(5) Uani 1 1 d . . . . .
Cl3 Cl 0.5253(3) 0.1730(3) 0.81537(6) 0.0610(6) Uani 1 1 d . . . . .
Cl4 Cl 0.7436(3) 0.0949(2) 0.74964(6) 0.0557(5) Uani 1 1 d . . . . .
O1 O 1.1179(9) 0.5845(14) 0.48277(17) 0.088(3) Uani 1 1 d . . . . .
O2 O 1.3766(8) 0.5100(9) 0.48986(15) 0.0611(17) Uani 1 1 d . . . . .
O3 O 1.2897(9) 0.3414(7) 0.54764(17) 0.0568(15) Uani 1 1 d . . . . .
O4 O 1.3573(7) 0.5580(6) 0.57623(12) 0.0397(10) Uani 1 1 d . . . . .
O5 O 1.0782(7) 0.5512(7) 0.59020(12) 0.0420(11) Uani 1 1 d . . . . .
O6 O 1.1109(10) 0.8872(10) 0.6432(2) 0.073(2) Uani 1 1 d . . . . .
O7 O 0.8228(8) 0.5709(12) 0.63920(17) 0.072(2) Uani 1 1 d . . . . .
O8 O 1.0257(7) 0.5858(8) 0.67902(13) 0.0491(13) Uani 1 1 d . . . . .
O9 O 0.8648(9) 0.7794(6) 0.72708(14) 0.0484(13) Uani 1 1 d . . . . .
O10 O 0.9414(9) 0.2878(8) 0.69539(19) 0.0642(18) Uani 1 1 d . . . . .
N1 N 0.9116(10) 0.5441(8) 0.70370(16) 0.0464(15) Uani 1 1 d . . . . .
C1 C 1.1589(16) 0.5667(18) 0.4212(3) 0.085(4) Uani 1 1 d . . . . .
H1A H 1.0931 0.4817 0.4279 0.128 Uiso 1 1 calc R U . . .
H1B H 1.2688 0.5338 0.4163 0.128 Uiso 1 1 calc R U . . .
H1C H 1.1131 0.6123 0.4005 0.128 Uiso 1 1 calc R U . . .
C2 C 1.1614(14) 0.6782(19) 0.4500(3) 0.084(4) Uani 1 1 d . . . . .
H2A H 1.0810 0.7572 0.4461 0.101 Uiso 1 1 calc R U . . .
H2B H 1.2692 0.7237 0.4524 0.101 Uiso 1 1 calc R U . . .
C3 C 1.2395(11) 0.5157(13) 0.50000(18) 0.055(2) Uani 1 1 d . . . . .
C4 C 1.1790(10) 0.4532(11) 0.53590(18) 0.0482(19) Uani 1 1 d . . . . .
C5 C 1.1966(9) 0.5797(9) 0.56390(17) 0.0386(15) Uani 1 1 d . . . . .
C6 C 1.4004(12) 0.4015(11) 0.5733(2) 0.0504(19) Uani 1 1 d . . . . .
C7 C 1.5750(13) 0.3907(14) 0.5609(3) 0.069(3) Uani 1 1 d . . . . .
H7A H 1.6464 0.4350 0.5781 0.104 Uiso 1 1 calc R U . . .
H7B H 1.5865 0.4436 0.5390 0.104 Uiso 1 1 calc R U . . .
H7C H 1.6038 0.2866 0.5576 0.104 Uiso 1 1 calc R U . . .
C8 C 1.3736(19) 0.3219(13) 0.6079(3) 0.083(4) Uani 1 1 d . . . . .
H8A H 1.2596 0.3275 0.6142 0.125 Uiso 1 1 calc R U . . .
H8B H 1.4386 0.3695 0.6258 0.125 Uiso 1 1 calc R U . . .
H8C H 1.4055 0.2180 0.6058 0.125 Uiso 1 1 calc R U . . .
C9 C 1.0083(12) 0.3874(14) 0.5327(2) 0.067(3) Uani 1 1 d . . . . .
H9A H 0.9728 0.3511 0.5552 0.101 Uiso 1 1 calc R U . . .
H9B H 1.0098 0.3054 0.5162 0.101 Uiso 1 1 calc R U . . .
H9C H 0.9341 0.4640 0.5245 0.101 Uiso 1 1 calc R U . . .
C10 C 1.1831(10) 0.7446(10) 0.5517(2) 0.0485(18) Uani 1 1 d . . . . .
H10A H 1.2685 0.7663 0.5346 0.058 Uiso 1 1 calc R U . . .
H10B H 1.0776 0.7611 0.5405 0.058 Uiso 1 1 calc R U . . .
C11 C 1.2008(13) 0.8490(10) 0.5832(3) 0.059(2) Uani 1 1 d . . . . .
H11A H 1.3117 0.8418 0.5923 0.071 Uiso 1 1 calc R U . . .
H11B H 1.1826 0.9524 0.5758 0.071 Uiso 1 1 calc R U . . .
C12 C 1.0801(11) 0.8090(11) 0.6119(2) 0.0514(19) Uani 1 1 d . . . . .
H12 H 0.9682 0.8305 0.6039 0.062 Uiso 1 1 calc R U . . .
C13 C 1.0961(9) 0.6410(9) 0.62044(18) 0.0420(17) Uani 1 1 d . . . . .
H13 H 1.2038 0.6219 0.6310 0.050 Uiso 1 1 calc R U . . .
C14 C 0.9633(10) 0.5936(11) 0.64567(18) 0.0463(18) Uani 1 1 d . . . . .
C15 C 0.8879(10) 0.3909(9) 0.7117(2) 0.0437(16) Uani 1 1 d . . . . .
C16 C 0.7823(9) 0.3974(8) 0.74367(17) 0.0370(14) Uani 1 1 d . . . . .
C17 C 0.7110(10) 0.2805(9) 0.7624(2) 0.0424(16) Uani 1 1 d . . . . .
C18 C 0.6151(10) 0.3155(9) 0.7916(2) 0.0438(16) Uani 1 1 d . . . . .
C19 C 0.5904(10) 0.4657(10) 0.80123(17) 0.0423(15) Uani 1 1 d . . . . .
C20 C 0.6643(9) 0.5818(9) 0.78215(17) 0.0370(14) Uani 1 1 d . . . . .
C21 C 0.7585(8) 0.5479(7) 0.75337(15) 0.0327(12) Uani 1 1 d . . . . .
C22 C 0.8486(9) 0.6465(8) 0.72797(17) 0.0358(14) Uani 1 1 d . . . . .
C23 C 1.0209(19) 1.0149(17) 0.6495(5) 0.114(6) Uani 1 1 d . . . . .
H23A H 0.9167 0.9876 0.6594 0.171 Uiso 1 1 calc R U . . .
H23B H 1.0037 1.0680 0.6278 0.171 Uiso 1 1 calc R U . . .
H23C H 1.0791 1.0787 0.6656 0.171 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 C20 1.730(7) . ?
Cl2 C19 1.705(8) . ?
Cl3 C18 1.716(8) . ?
Cl4 C17 1.735(8) . ?
O1 C3 1.336(13) . ?
O1 C2 1.539(15) . ?
O2 C3 1.183(11) . ?
O3 C4 1.412(12) . ?
O3 C6 1.432(12) . ?
O4 C5 1.404(9) . ?
O4 C6 1.435(11) . ?
O5 C13 1.406(8) . ?
O5 C5 1.413(8) . ?
O6 C23 1.369(15) . ?
O6 C12 1.401(11) . ?
O7 C14 1.187(11) . ?
O8 C14 1.369(10) . ?
O8 N1 1.372(9) . ?
O9 C22 1.185(10) . ?
O10 C15 1.187(10) . ?
N1 C22 1.392(9) . ?
N1 C15 1.405(11) . ?
C1 C2 1.478(18) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.554(11) . ?
C4 C9 1.512(13) . ?
C4 C5 1.553(10) . ?
C5 C10 1.538(12) . ?
C6 C7 1.502(14) . ?
C6 C8 1.511(12) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.522(13) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.512(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.529(13) . ?
C12 H12 0.9800 . ?
C13 C14 1.507(10) . ?
C13 H13 0.9800 . ?
C15 C16 1.491(10) . ?
C16 C17 1.385(11) . ?
C16 C21 1.397(10) . ?
C17 C18 1.395(12) . ?
C18 C19 1.395(12) . ?
C19 C20 1.395(11) . ?
C20 C21 1.371(10) . ?
C21 C22 1.495(9) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 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
C3 O1 C2 118.2(8) . . ?
C4 O3 C6 110.9(7) . . ?
C5 O4 C6 109.5(6) . . ?
C13 O5 C5 114.0(6) . . ?
C23 O6 C12 117.4(10) . . ?
C14 O8 N1 113.4(6) . . ?
O8 N1 C22 121.9(7) . . ?
O8 N1 C15 120.1(7) . . ?
C22 N1 C15 115.8(6) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1 C2 O1 103.7(12) . . ?
C1 C2 H2A 111.0 . . ?
O1 C2 H2A 111.0 . . ?
C1 C2 H2B 111.0 . . ?
O1 C2 H2B 111.0 . . ?
H2A C2 H2B 109.0 . . ?
O2 C3 O1 124.1(9) . . ?
O2 C3 C4 124.8(9) . . ?
O1 C3 C4 111.0(7) . . ?
O3 C4 C9 110.1(9) . . ?
O3 C4 C5 103.3(6) . . ?
C9 C4 C5 114.8(6) . . ?
O3 C4 C3 109.0(7) . . ?
C9 C4 C3 110.9(7) . . ?
C5 C4 C3 108.4(7) . . ?
O4 C5 O5 112.1(6) . . ?
O4 C5 C10 107.3(6) . . ?
O5 C5 C10 109.6(6) . . ?
O4 C5 C4 102.5(6) . . ?
O5 C5 C4 107.1(6) . . ?
C10 C5 C4 118.1(6) . . ?
O3 C6 O4 105.0(7) . . ?
O3 C6 C7 111.0(7) . . ?
O4 C6 C7 108.5(9) . . ?
O3 C6 C8 109.3(9) . . ?
O4 C6 C8 110.4(7) . . ?
C7 C6 C8 112.4(9) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C5 109.4(7) . . ?
C11 C10 H10A 109.8 . . ?
C5 C10 H10A 109.8 . . ?
C11 C10 H10B 109.8 . . ?
C5 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 C10 111.4(8) . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
O6 C12 C11 112.5(8) . . ?
O6 C12 C13 106.6(8) . . ?
C11 C12 C13 109.0(7) . . ?
O6 C12 H12 109.6 . . ?
C11 C12 H12 109.6 . . ?
C13 C12 H12 109.6 . . ?
O5 C13 C14 106.8(6) . . ?
O5 C13 C12 111.6(6) . . ?
C14 C13 C12 110.2(7) . . ?
O5 C13 H13 109.4 . . ?
C14 C13 H13 109.4 . . ?
C12 C13 H13 109.4 . . ?
O7 C14 O8 122.8(7) . . ?
O7 C14 C13 127.4(8) . . ?
O8 C14 C13 109.8(7) . . ?
O10 C15 N1 125.5(8) . . ?
O10 C15 C16 131.9(9) . . ?
N1 C15 C16 102.6(6) . . ?
C17 C16 C21 121.3(7) . . ?
C17 C16 C15 129.2(7) . . ?
C21 C16 C15 109.4(7) . . ?
C16 C17 C18 118.6(7) . . ?
C16 C17 Cl4 120.1(6) . . ?
C18 C17 Cl4 121.3(6) . . ?
C17 C18 C19 120.1(7) . . ?
C17 C18 Cl3 119.7(7) . . ?
C19 C18 Cl3 120.2(6) . . ?
C18 C19 C20 120.3(7) . . ?
C18 C19 Cl2 119.6(6) . . ?
C20 C19 Cl2 120.1(6) . . ?
C21 C20 C19 119.7(7) . . ?
C21 C20 Cl1 119.9(6) . . ?
C19 C20 Cl1 120.3(6) . . ?
C20 C21 C16 119.8(6) . . ?
C20 C21 C22 131.6(7) . . ?
C16 C21 C22 108.6(6) . . ?
O9 C22 N1 126.0(7) . . ?
O9 C22 C21 130.8(7) . . ?
N1 C22 C21 103.3(6) . . ?
O6 C23 H23A 109.5 . . ?
O6 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O6 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

_refine_diff_density_max         0.785
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.115



