#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:27:16 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289400 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/04/1570410.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1570410
loop_
_publ_author_name
'Li, Tao'
'Liu, Jia-Chuan'
'Liu, En-Ping'
'Liu, Bai-Tong'
'Wang, Jing-Yu'
'Liao, Pei-Yu'
'Jia, Jian-Hua'
'Feng, Yuanning'
'Tong, Ming-Liang'
_publ_section_title
;
 NIR-II photothermal conversion and imaging based on a cocrystal
 containing twisted components.
;
_journal_issue                   5
_journal_name_full               'Chemical science'
_journal_page_first              1692
_journal_page_last               1699
_journal_paper_doi               10.1039/d3sc03532h
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C24 H6 Cl4 O6'
_chemical_formula_sum            'C24 H4 Cl4 N0.25 O6'
_chemical_formula_weight         533.57
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2021-11-29
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-11-14 deposited with the CCDC.	2023-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.45(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.343(8)
_cell_length_b                   10.807(6)
_cell_length_c                   14.322(9)
_cell_measurement_reflns_used    6062
_cell_measurement_temperature    201(2)
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      2.43
_cell_volume                     1922(2)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      201.34
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33428
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.498
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.664
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6362
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1060 before and 0.0603 after correction.
The Ratio of minimum to maximum transmission is 0.8534.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_F_000             1063
_refine_diff_density_max         1.066
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         3389
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          15.000
_refine_ls_shift/su_mean         0.047
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0472P)²+1.4898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0889
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2911
_reflns_number_total             3389
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc03532h2.cif
_cod_data_source_block           mo_hei_scb_0m_a
_cod_depositor_comments
'Adding full bibliography for 1570409--1570410.cif.'
_cod_original_cell_volume        1922.2(19)
_cod_database_code               1570410
_shelx_shelxl_version_number     2016/6
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C13(H13), C20(H20A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.61036(5) 0.61628(5) 0.16322(4) 0.03050(15) Uani 1 1 d . . . . .
Cl2 Cl 0.41818(5) 0.61509(5) 0.23419(4) 0.03413(16) Uani 1 1 d . . . . .
Cl3 Cl 0.62894(5) 0.01721(5) 0.48541(4) 0.03898(17) Uani 1 1 d . . . . .
Cl4 Cl 0.85121(5) 0.14741(5) 0.58113(4) 0.03787(17) Uani 1 1 d . . . . .
O1 O 0.86106(17) 0.56311(18) 0.78462(13) 0.0549(5) Uani 1 1 d . . . . .
O2 O 0.61131(17) -0.11776(14) 0.11778(14) 0.0473(5) Uani 1 1 d . . . . .
O3 O 0.62297(14) 0.05255(14) 0.03854(12) 0.0367(4) Uani 1 1 d . . . . .
O4 O 0.64730(17) 0.21705(16) -0.04290(13) 0.0457(5) Uani 1 1 d . . . . .
O5 O 0.71573(15) 0.67039(15) 0.69699(12) 0.0387(4) Uani 1 1 d . . . . .
O6 O 0.57592(16) 0.78650(17) 0.61236(14) 0.0491(5) Uani 1 1 d . . . . .
C1 C 0.7831(2) 0.5682(2) 0.70936(17) 0.0356(6) Uani 1 1 d . . . . .
C2 C 0.75113(19) 0.4768(2) 0.62678(16) 0.0279(5) Uani 1 1 d . . . . .
C3 C 0.80443(19) 0.3666(2) 0.63783(16) 0.0296(5) Uani 1 1 d . . . . .
H3 H 0.862253 0.348339 0.698706 0.036 Uiso 1 1 calc R . . . .
C4 C 0.77333(18) 0.27982(19) 0.55846(16) 0.0268(5) Uani 1 1 d . . . . .
C5 C 0.69229(17) 0.30396(18) 0.46553(15) 0.0232(4) Uani 1 1 d . . . . .
C6 C 0.65110(17) 0.21903(18) 0.37875(15) 0.0230(4) Uani 1 1 d . . . . .
C7 C 0.62429(16) 0.27470(18) 0.28175(15) 0.0219(4) Uani 1 1 d . . . . .
C8 C 0.61969(17) 0.20059(18) 0.19900(16) 0.0234(4) Uani 1 1 d . . . . .
C9 C 0.61839(17) 0.06991(19) 0.20751(16) 0.0257(5) Uani 1 1 d . . . . .
C10 C 0.61596(19) -0.0073(2) 0.12186(17) 0.0311(5) Uani 1 1 d . . . . .
C11 C 0.62037(17) 0.25737(19) 0.11029(15) 0.0253(5) Uani 1 1 d . . . . .
C12 C 0.63064(19) 0.1807(2) 0.02895(17) 0.0310(5) Uani 1 1 d . . . . .
C13 C 0.61913(18) 0.38492(19) 0.10251(16) 0.0263(5) Uani 1 1 d . . . . .
H13 H 0.625598 0.423308 0.045308 0.032 Uiso 1 1 calc R . . . .
C14 C 0.60822(17) 0.45765(18) 0.17987(15) 0.0230(4) Uani 1 1 d . . . . .
C15 C 0.60380(16) 0.40522(18) 0.26750(15) 0.0210(4) Uani 1 1 d . . . . .
C16 C 0.58836(17) 0.47253(18) 0.35102(15) 0.0228(4) Uani 1 1 d . . . . .
C17 C 0.64955(17) 0.42756(18) 0.44997(15) 0.0226(4) Uani 1 1 d . . . . .
C18 C 0.67036(17) 0.50799(19) 0.53308(16) 0.0241(4) Uani 1 1 d . . . . .
C19 C 0.61174(18) 0.61999(19) 0.52082(16) 0.0266(5) Uani 1 1 d . . . . .
C20 C 0.53483(18) 0.65004(19) 0.42882(17) 0.0282(5) Uani 1 1 d . . . . .
H20A H 0.489995 0.720267 0.422499 0.034 Uiso 1 1 calc R . . . .
C21 C 0.52303(17) 0.57633(19) 0.34439(16) 0.0252(5) Uani 1 1 d . . . . .
C22 C 0.62979(19) 0.7000(2) 0.60973(17) 0.0321(5) Uani 1 1 d . . . . .
C23 C 0.63568(18) 0.09119(19) 0.38079(16) 0.0264(5) Uani 1 1 d . . . . .
C24 C 0.61844(18) 0.0173(2) 0.29527(17) 0.0283(5) Uani 1 1 d . . . . .
H H 0.8951(15) 0.3660(18) 0.1913(13) -0.001(4) Uiso 1 1 d . . . . .
H24 H 0.606(3) -0.072(3) 0.295(2) 0.055(9) Uiso 1 1 d . . . . .
H20B H 0.462(2) 0.774(3) 0.405(2) 0.064(9) Uiso 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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'
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 O3 C12 125.10(17) . . ?
C22 O5 C1 125.34(18) . . ?
O1 C1 O5 117.4(2) . . ?
O1 C1 C2 126.3(2) . . ?
O5 C1 C2 116.3(2) . . ?
C3 C2 C1 120.2(2) . . ?
C3 C2 C18 120.0(2) . . ?
C18 C2 C1 119.6(2) . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(2) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 Cl4 114.75(17) . . ?
C5 C4 Cl4 122.40(17) . . ?
C5 C4 C3 122.6(2) . . ?
C4 C5 C6 127.16(19) . . ?
C4 C5 C17 116.47(19) . . ?
C17 C5 C6 116.21(18) . . ?
C7 C6 C5 115.97(18) . . ?
C23 C6 C5 127.40(19) . . ?
C23 C6 C7 116.62(19) . . ?
C8 C7 C6 119.58(18) . . ?
C8 C7 C15 119.31(18) . . ?
C15 C7 C6 121.10(18) . . ?
C7 C8 C9 119.38(19) . . ?
C11 C8 C7 119.67(19) . . ?
C11 C8 C9 120.91(19) . . ?
C8 C9 C10 119.30(19) . . ?
C24 C9 C8 119.5(2) . . ?
C24 C9 C10 121.2(2) . . ?
O2 C10 O3 116.2(2) . . ?
O2 C10 C9 126.2(2) . . ?
O3 C10 C9 117.59(19) . . ?
C8 C11 C12 119.90(19) . . ?
C13 C11 C8 120.08(19) . . ?
C13 C11 C12 119.9(2) . . ?
O3 C12 C11 116.54(19) . . ?
O4 C12 O3 116.9(2) . . ?
O4 C12 C11 126.5(2) . . ?
C11 C13 H13 120.2 . . ?
C11 C13 C14 119.64(19) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 Cl1 115.61(16) . . ?
C15 C14 Cl1 122.20(16) . . ?
C15 C14 C13 122.03(18) . . ?
C7 C15 C16 116.35(18) . . ?
C14 C15 C7 117.20(18) . . ?
C14 C15 C16 126.27(18) . . ?
C17 C16 C15 115.77(18) . . ?
C21 C16 C15 127.31(19) . . ?
C21 C16 C17 116.90(19) . . ?
C16 C17 C5 121.16(18) . . ?
C18 C17 C5 119.67(19) . . ?
C18 C17 C16 119.15(19) . . ?
C17 C18 C2 119.71(19) . . ?
C19 C18 C2 120.9(2) . . ?
C19 C18 C17 119.35(19) . . ?
C18 C19 C22 118.8(2) . . ?
C20 C19 C18 120.2(2) . . ?
C20 C19 C22 120.9(2) . . ?
C19 C20 H20A 120.1 . . ?
C19 C20 C21 119.8(2) . . ?
C21 C20 H20A 120.1 . . ?
C16 C21 Cl2 121.97(17) . . ?
C16 C21 C20 121.5(2) . . ?
C20 C21 Cl2 116.39(16) . . ?
O5 C22 C19 117.4(2) . . ?
O6 C22 O5 117.5(2) . . ?
O6 C22 C19 125.1(2) . . ?
C6 C23 Cl3 121.96(17) . . ?
C6 C23 C24 121.4(2) . . ?
C24 C23 Cl3 116.57(16) . . ?
C9 C24 C23 120.3(2) . . ?
C9 C24 H24 117.5(18) . . ?
C23 C24 H24 122.3(18) . . ?
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 C14 1.733(2) . ?
Cl2 C21 1.735(2) . ?
Cl3 C23 1.730(2) . ?
Cl4 C4 1.728(2) . ?
O1 C1 1.194(3) . ?
O2 C10 1.196(3) . ?
O3 C10 1.390(3) . ?
O3 C12 1.399(3) . ?
O4 C12 1.196(3) . ?
O5 C1 1.394(3) . ?
O5 C22 1.390(3) . ?
O6 C22 1.188(3) . ?
C1 C2 1.479(3) . ?
C2 C3 1.366(3) . ?
C2 C18 1.421(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.414(3) . ?
C4 C5 1.399(3) . ?
C5 C6 1.480(3) . ?
C5 C17 1.437(3) . ?
C6 C7 1.434(3) . ?
C6 C23 1.399(3) . ?
C7 C8 1.413(3) . ?
C7 C15 1.437(3) . ?
C8 C9 1.418(3) . ?
C8 C11 1.414(3) . ?
C9 C10 1.474(3) . ?
C9 C24 1.379(3) . ?
C11 C12 1.476(3) . ?
C11 C13 1.383(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.409(3) . ?
C14 C15 1.398(3) . ?
C15 C16 1.477(3) . ?
C16 C17 1.437(3) . ?
C16 C21 1.402(3) . ?
C17 C18 1.417(3) . ?
C18 C19 1.417(3) . ?
C19 C20 1.380(3) . ?
C19 C22 1.484(3) . ?
C20 H20A 0.9500 . ?
C20 C21 1.408(3) . ?
C23 C24 1.409(3) . ?
C24 H24 0.98(4) . ?
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 C14 C15 C7 -167.70(15) . . . . ?
Cl1 C14 C15 C16 7.2(3) . . . . ?
Cl3 C23 C24 C9 177.55(17) . . . . ?
Cl4 C4 C5 C6 8.0(3) . . . . ?
Cl4 C4 C5 C17 -167.20(16) . . . . ?
O1 C1 C2 C3 8.9(4) . . . . ?
O1 C1 C2 C18 -166.2(3) . . . . ?
O5 C1 C2 C3 -171.7(2) . . . . ?
O5 C1 C2 C18 13.2(3) . . . . ?
C1 O5 C22 O6 175.9(2) . . . . ?
C1 O5 C22 C19 -3.4(3) . . . . ?
C1 C2 C3 C4 -179.9(2) . . . . ?
C1 C2 C18 C17 171.7(2) . . . . ?
C1 C2 C18 C19 -6.9(3) . . . . ?
C2 C3 C4 Cl4 177.55(17) . . . . ?
C2 C3 C4 C5 3.1(3) . . . . ?
C2 C18 C19 C20 178.8(2) . . . . ?
C2 C18 C19 C22 -4.9(3) . . . . ?
C3 C2 C18 C17 -3.4(3) . . . . ?
C3 C2 C18 C19 178.0(2) . . . . ?
C3 C4 C5 C6 -178.0(2) . . . . ?
C3 C4 C5 C17 6.8(3) . . . . ?
C4 C5 C6 C7 -142.4(2) . . . . ?
C4 C5 C6 C23 37.5(3) . . . . ?
C4 C5 C17 C16 163.3(2) . . . . ?
C4 C5 C17 C18 -15.0(3) . . . . ?
C5 C6 C7 C8 158.77(19) . . . . ?
C5 C6 C7 C15 -20.1(3) . . . . ?
C5 C6 C23 Cl3 17.8(3) . . . . ?
C5 C6 C23 C24 -166.0(2) . . . . ?
C5 C17 C18 C2 13.6(3) . . . . ?
C5 C17 C18 C19 -167.8(2) . . . . ?
C6 C5 C17 C16 -12.5(3) . . . . ?
C6 C5 C17 C18 169.28(18) . . . . ?
C6 C7 C8 C9 13.6(3) . . . . ?
C6 C7 C8 C11 -164.2(2) . . . . ?
C6 C7 C15 C14 162.50(19) . . . . ?
C6 C7 C15 C16 -12.9(3) . . . . ?
C6 C23 C24 C9 1.2(3) . . . . ?
C7 C6 C23 Cl3 -162.29(16) . . . . ?
C7 C6 C23 C24 13.9(3) . . . . ?
C7 C8 C9 C10 -178.69(19) . . . . ?
C7 C8 C9 C24 1.9(3) . . . . ?
C7 C8 C11 C12 171.6(2) . . . . ?
C7 C8 C11 C13 -3.8(3) . . . . ?
C7 C15 C16 C17 33.2(3) . . . . ?
C7 C15 C16 C21 -148.4(2) . . . . ?
C8 C7 C15 C14 -16.4(3) . . . . ?
C8 C7 C15 C16 168.15(18) . . . . ?
C8 C9 C10 O2 -177.5(2) . . . . ?
C8 C9 C10 O3 4.6(3) . . . . ?
C8 C9 C24 C23 -9.4(3) . . . . ?
C8 C11 C12 O3 9.3(3) . . . . ?
C8 C11 C12 O4 -168.8(2) . . . . ?
C8 C11 C13 C14 -5.2(3) . . . . ?
C9 C8 C11 C12 -6.1(3) . . . . ?
C9 C8 C11 C13 178.5(2) . . . . ?
C10 O3 C12 O4 172.5(2) . . . . ?
C10 O3 C12 C11 -5.9(3) . . . . ?
C10 C9 C24 C23 171.2(2) . . . . ?
C11 C8 C9 C10 -1.0(3) . . . . ?
C11 C8 C9 C24 179.6(2) . . . . ?
C11 C13 C14 Cl1 178.78(17) . . . . ?
C11 C13 C14 C15 3.2(3) . . . . ?
C12 O3 C10 O2 -179.1(2) . . . . ?
C12 O3 C10 C9 -1.0(3) . . . . ?
C12 C11 C13 C14 179.36(19) . . . . ?
C13 C11 C12 O3 -175.2(2) . . . . ?
C13 C11 C12 O4 6.6(4) . . . . ?
C13 C14 C15 C7 7.6(3) . . . . ?
C13 C14 C15 C16 -177.5(2) . . . . ?
C14 C15 C16 C17 -141.7(2) . . . . ?
C14 C15 C16 C21 36.6(3) . . . . ?
C15 C7 C8 C9 -167.49(19) . . . . ?
C15 C7 C8 C11 14.8(3) . . . . ?
C15 C16 C17 C5 -20.5(3) . . . . ?
C15 C16 C17 C18 157.75(18) . . . . ?
C15 C16 C21 Cl2 20.1(3) . . . . ?
C15 C16 C21 C20 -164.1(2) . . . . ?
C16 C17 C18 C2 -164.7(2) . . . . ?
C16 C17 C18 C19 13.9(3) . . . . ?
C17 C5 C6 C7 32.8(3) . . . . ?
C17 C5 C6 C23 -147.3(2) . . . . ?
C17 C16 C21 Cl2 -161.59(16) . . . . ?
C17 C16 C21 C20 14.2(3) . . . . ?
C17 C18 C19 C20 0.3(3) . . . . ?
C17 C18 C19 C22 176.55(19) . . . . ?
C18 C2 C3 C4 -4.9(3) . . . . ?
C18 C19 C20 C21 -7.1(3) . . . . ?
C18 C19 C22 O5 10.1(3) . . . . ?
C18 C19 C22 O6 -169.2(2) . . . . ?
C19 C20 C21 Cl2 175.64(17) . . . . ?
C19 C20 C21 C16 -0.4(3) . . . . ?
C20 C19 C22 O5 -173.7(2) . . . . ?
C20 C19 C22 O6 7.1(4) . . . . ?
C21 C16 C17 C5 160.9(2) . . . . ?
C21 C16 C17 C18 -20.8(3) . . . . ?
C22 O5 C1 O1 171.4(2) . . . . ?
C22 O5 C1 C2 -8.1(3) . . . . ?
C22 C19 C20 C21 176.7(2) . . . . ?
C23 C6 C7 C8 -21.1(3) . . . . ?
C23 C6 C7 C15 160.0(2) . . . . ?
C24 C9 C10 O2 1.9(4) . . . . ?
C24 C9 C10 O3 -176.0(2) . . . . ?
