#------------------------------------------------------------------------------
#$Date: 2024-12-06 18:43:05 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296395 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/26/1572620.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_1572620
loop_
_publ_author_name
'Zhu, Weijie'
'Zhao, Bohan'
'Fang, Shuai'
'Zhu, Huangtianzhi'
'Huang, Feihe'
_publ_section_title
;
 An anthracene-containing crown ether: synthesis, host-guest properties
 and modulation of solid state luminescence.
;
_journal_issue                   39
_journal_name_full               'Chemical science'
_journal_page_first              16300
_journal_page_last               16306
_journal_paper_doi               10.1039/d4sc05077k
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C44 H48 O10, 2(H2 O)'
_chemical_formula_sum            'C44 H52 O12'
_chemical_formula_weight         772.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2022-04-07
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-12-15 deposited with the CCDC.	2024-09-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.6370(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.2025(13)
_cell_length_b                   6.5188(2)
_cell_length_c                   23.6035(11)
_cell_measurement_reflns_used    9415
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      2.98
_cell_volume                     4016.4(3)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      170.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'zju Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            35919
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.174
_diffrn_reflns_theta_min         2.840
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.7025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0819 before and 0.0575 after correction.
The Ratio of minimum to maximum transmission is 0.9423.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_description       plate
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         4469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0422
_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)+(0.0526P)²+2.8058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1061
_refine_ls_wR_factor_ref         0.1178
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3540
_reflns_number_total             4469
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc05077k2.cif
_cod_data_source_block           mo_220406_zwj_195_0m
_cod_depositor_comments
'Adding full bibliography for 1572620--1572621.cif.'
_cod_database_code               1572620
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.993
_shelx_estimated_absorpt_t_min   0.962
_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 O(H,H) groups
2.a Free rotating group:
 O6(H6A,H6B)
2.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,
 H19B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C10(H10), C12(H12), C13(H13)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
O1 O 0.49031(4) -0.03546(16) 0.32225(5) 0.0334(2) Uani 1 1 d . . . . .
O2 O 0.40858(4) 0.65556(16) 0.38058(5) 0.0329(2) Uani 1 1 d . . . . .
O3 O 0.37659(4) 0.83867(15) 0.46547(5) 0.0325(2) Uani 1 1 d . . . . .
O4 O 0.35691(4) 0.75102(16) 0.56654(5) 0.0324(2) Uani 1 1 d . . . . .
O5 O 0.40053(4) 0.36381(16) 0.62745(5) 0.0340(3) Uani 1 1 d . . . . .
C1 C 0.26056(6) 0.3021(3) 0.20364(7) 0.0365(4) Uani 1 1 d . . . . .
H1 H 0.246487 0.424965 0.210885 0.044 Uiso 1 1 calc R . . . .
C2 C 0.22960(6) 0.1672(3) 0.15884(7) 0.0405(4) Uani 1 1 d . . . . .
H2 H 0.194195 0.197255 0.134916 0.049 Uiso 1 1 calc R . . . .
C3 C 0.24968(6) -0.0172(3) 0.14761(8) 0.0448(4) Uani 1 1 d . . . . .
H3 H 0.227546 -0.110445 0.116408 0.054 Uiso 1 1 calc R . . . .
C4 C 0.30030(6) -0.0628(3) 0.18096(8) 0.0420(4) Uani 1 1 d . . . . .
H4 H 0.313112 -0.187846 0.173018 0.050 Uiso 1 1 calc R . . . .
C5 C 0.33441(6) 0.0757(2) 0.22785(7) 0.0325(3) Uani 1 1 d . . . . .
C6 C 0.31412(5) 0.2611(2) 0.23998(7) 0.0309(3) Uani 1 1 d . . . . .
C7 C 0.34684(5) 0.3960(2) 0.28631(6) 0.0304(3) Uani 1 1 d . . . . .
H7 H 0.333156 0.517830 0.294786 0.036 Uiso 1 1 calc R . . . .
C8 C 0.39916(5) 0.3564(2) 0.32051(6) 0.0271(3) Uani 1 1 d . . . . .
C9 C 0.41992(5) 0.1754(2) 0.30640(6) 0.0276(3) Uani 1 1 d . . . . .
C10 C 0.38711(5) 0.0382(2) 0.26137(7) 0.0319(3) Uani 1 1 d . . . . .
H10 H 0.400788 -0.084087 0.253145 0.038 Uiso 1 1 calc R . . . .
C11 C 0.47434(5) 0.1400(2) 0.34045(7) 0.0280(3) Uani 1 1 d . . . . .
C12 C 0.50489(5) 0.2719(2) 0.38655(7) 0.0299(3) Uani 1 1 d . . . . .
H12 H 0.540605 0.245632 0.409024 0.036 Uiso 1 1 calc R . . . .
C13 C 0.48376(5) 0.4498(2) 0.40153(7) 0.0297(3) Uani 1 1 d . . . . .
H13 H 0.505636 0.540063 0.434009 0.036 Uiso 1 1 calc R . . . .
C14 C 0.43287(5) 0.4916(2) 0.36997(7) 0.0284(3) Uani 1 1 d . . . . .
C15 C 0.54255(5) -0.0926(2) 0.35869(7) 0.0320(3) Uani 1 1 d . . . . .
H15A H 0.549887 -0.117806 0.403319 0.038 Uiso 1 1 calc R . . . .
H15B H 0.565472 0.017833 0.357742 0.038 Uiso 1 1 calc R . . . .
C16 C 0.43907(6) 0.7977(2) 0.42899(7) 0.0320(3) Uani 1 1 d . . . . .
H16A H 0.462859 0.871188 0.416589 0.038 Uiso 1 1 calc R . . . .
H16B H 0.459496 0.724313 0.469267 0.038 Uiso 1 1 calc R . . . .
C17 C 0.40323(6) 0.9470(2) 0.43708(7) 0.0346(3) Uani 1 1 d . . . . .
H17A H 0.422751 1.062560 0.464504 0.042 Uiso 1 1 calc R . . . .
H17B H 0.378735 1.002848 0.395427 0.042 Uiso 1 1 calc R . . . .
C18 C 0.34223(6) 0.9617(2) 0.47862(7) 0.0355(3) Uani 1 1 d . . . . .
H18A H 0.315598 1.020672 0.438805 0.043 Uiso 1 1 calc R . . . .
H18B H 0.361064 1.076004 0.507219 0.043 Uiso 1 1 calc R . . . .
C19 C 0.31787(6) 0.8295(3) 0.50938(7) 0.0349(3) Uani 1 1 d . . . . .
H19A H 0.293276 0.911177 0.518347 0.042 Uiso 1 1 calc R . . . .
H19B H 0.299016 0.715308 0.480775 0.042 Uiso 1 1 calc R . . . .
C20 C 0.33808(6) 0.6253(2) 0.60054(7) 0.0335(3) Uani 1 1 d . . . . .
H20A H 0.314706 0.519487 0.572177 0.040 Uiso 1 1 calc R . . . .
H20B H 0.318900 0.709356 0.617649 0.040 Uiso 1 1 calc R . . . .
C21 C 0.38323(6) 0.5256(2) 0.65367(7) 0.0336(3) Uani 1 1 d . . . . .
H21A H 0.410946 0.627258 0.674717 0.040 Uiso 1 1 calc R . . . .
H21B H 0.373183 0.470345 0.685543 0.040 Uiso 1 1 calc R . . . .
C22 C 0.44923(5) 0.2858(2) 0.67073(7) 0.0300(3) Uani 1 1 d . . . . .
H22A H 0.449766 0.255020 0.712094 0.036 Uiso 1 1 calc R . . . .
H22B H 0.476456 0.387130 0.677495 0.036 Uiso 1 1 calc R . . . .
O6 O 0.39262(6) 0.41441(19) 0.49790(7) 0.0557(4) Uani 1 1 d . . . . .
H6A H 0.384536 0.535696 0.480864 0.084 Uiso 1 1 d G . . . .
H6B H 0.390082 0.424538 0.533117 0.084 Uiso 1 1 d G . . . .
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'
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
C11 O1 C15 116.77(11) . . ?
C14 O2 C16 117.71(11) . . ?
C17 O3 C18 114.27(11) . . ?
C19 O4 C20 113.40(11) . . ?
C22 O5 C21 112.82(11) . . ?
C2 C1 H1 119.6 . . ?
C2 C1 C6 120.78(15) . . ?
C6 C1 H1 119.6 . . ?
C1 C2 H2 119.7 . . ?
C1 C2 C3 120.55(14) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.78(16) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.63(16) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 118.76(14) . . ?
C10 C5 C4 122.34(15) . . ?
C10 C5 C6 118.89(14) . . ?
C5 C6 C1 118.50(14) . . ?
C7 C6 C1 122.16(14) . . ?
C7 C6 C5 119.34(13) . . ?
C6 C7 H7 119.2 . . ?
C6 C7 C8 121.66(14) . . ?
C8 C7 H7 119.2 . . ?
C7 C8 C9 119.04(13) . . ?
C7 C8 C14 121.93(13) . . ?
C9 C8 C14 119.03(12) . . ?
C8 C9 C11 118.55(13) . . ?
C10 C9 C8 119.27(13) . . ?
C10 C9 C11 122.16(13) . . ?
C5 C10 H10 119.2 . . ?
C9 C10 C5 121.70(14) . . ?
C9 C10 H10 119.2 . . ?
O1 C11 C9 113.74(12) . . ?
C12 C11 O1 125.69(13) . . ?
C12 C11 C9 120.56(13) . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.64(13) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.5 . . ?
C14 C13 C12 120.92(13) . . ?
C14 C13 H13 119.5 . . ?
O2 C14 C8 113.85(12) . . ?
C13 C14 O2 125.90(13) . . ?
C13 C14 C8 120.25(13) . . ?
O1 C15 H15A 110.4 . . ?
O1 C15 H15B 110.4 . . ?
O1 C15 C22 106.77(12) . 5_656 ?
H15A C15 H15B 108.6 . . ?
C22 C15 H15A 110.4 5_656 . ?
C22 C15 H15B 110.4 5_656 . ?
O2 C16 H16A 110.2 . . ?
O2 C16 H16B 110.2 . . ?
O2 C16 C17 107.56(12) . . ?
H16A C16 H16B 108.5 . . ?
C17 C16 H16A 110.2 . . ?
C17 C16 H16B 110.2 . . ?
O3 C17 C16 107.31(12) . . ?
O3 C17 H17A 110.3 . . ?
O3 C17 H17B 110.3 . . ?
C16 C17 H17A 110.3 . . ?
C16 C17 H17B 110.3 . . ?
H17A C17 H17B 108.5 . . ?
O3 C18 H18A 110.0 . . ?
O3 C18 H18B 110.0 . . ?
O3 C18 C19 108.42(12) . . ?
H18A C18 H18B 108.4 . . ?
C19 C18 H18A 110.0 . . ?
C19 C18 H18B 110.0 . . ?
O4 C19 C18 108.41(12) . . ?
O4 C19 H19A 110.0 . . ?
O4 C19 H19B 110.0 . . ?
C18 C19 H19A 110.0 . . ?
C18 C19 H19B 110.0 . . ?
H19A C19 H19B 108.4 . . ?
O4 C20 H20A 110.2 . . ?
O4 C20 H20B 110.2 . . ?
O4 C20 C21 107.74(12) . . ?
H20A C20 H20B 108.5 . . ?
C21 C20 H20A 110.2 . . ?
C21 C20 H20B 110.2 . . ?
O5 C21 C20 107.90(12) . . ?
O5 C21 H21A 110.1 . . ?
O5 C21 H21B 110.1 . . ?
C20 C21 H21A 110.1 . . ?
C20 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
O5 C22 C15 106.39(11) . 5_656 ?
O5 C22 H22A 110.5 . . ?
O5 C22 H22B 110.5 . . ?
C15 C22 H22A 110.5 5_656 . ?
C15 C22 H22B 110.5 5_656 . ?
H22A C22 H22B 108.6 . . ?
H6A O6 H6B 104.5 . . ?
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
O1 C11 1.3748(17) . ?
O1 C15 1.4245(17) . ?
O2 C14 1.3666(17) . ?
O2 C16 1.4301(18) . ?
O3 C17 1.4217(17) . ?
O3 C18 1.4234(17) . ?
O4 C19 1.4152(17) . ?
O4 C20 1.4190(18) . ?
O5 C21 1.4252(17) . ?
O5 C22 1.4219(16) . ?
C1 H1 0.9500 . ?
C1 C2 1.361(2) . ?
C1 C6 1.432(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.414(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.360(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.430(2) . ?
C5 C6 1.430(2) . ?
C5 C10 1.401(2) . ?
C6 C7 1.394(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.3952(19) . ?
C8 C9 1.432(2) . ?
C8 C14 1.441(2) . ?
C9 C10 1.391(2) . ?
C9 C11 1.4421(19) . ?
C10 H10 0.9500 . ?
C11 C12 1.360(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.431(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.358(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C22 1.508(2) 5_656 ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.503(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.496(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.500(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
O6 H6A 0.8702 . ?
O6 H6B 0.8696 . ?
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
O1 C11 C12 C13 -179.73(12) . . . . ?
O2 C16 C17 O3 69.99(14) . . . . ?
O3 C18 C19 O4 60.65(16) . . . . ?
O4 C20 C21 O5 -76.32(15) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C1 C6 C7 C8 -178.64(13) . . . . ?
C2 C1 C6 C5 0.4(2) . . . . ?
C2 C1 C6 C7 -179.86(14) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C3 C4 C5 C6 1.3(2) . . . . ?
C3 C4 C5 C10 -177.39(16) . . . . ?
C4 C5 C6 C1 -1.3(2) . . . . ?
C4 C5 C6 C7 178.99(14) . . . . ?
C4 C5 C10 C9 179.32(14) . . . . ?
C5 C6 C7 C8 1.1(2) . . . . ?
C6 C1 C2 C3 0.5(2) . . . . ?
C6 C5 C10 C9 0.6(2) . . . . ?
C6 C7 C8 C9 1.7(2) . . . . ?
C6 C7 C8 C14 -177.80(13) . . . . ?
C7 C8 C9 C10 -3.3(2) . . . . ?
C7 C8 C9 C11 177.76(12) . . . . ?
C7 C8 C14 O2 1.49(19) . . . . ?
C7 C8 C14 C13 -178.89(13) . . . . ?
C8 C9 C10 C5 2.2(2) . . . . ?
C8 C9 C11 O1 -178.64(11) . . . . ?
C8 C9 C11 C12 2.4(2) . . . . ?
C9 C8 C14 O2 -178.03(11) . . . . ?
C9 C8 C14 C13 1.6(2) . . . . ?
C9 C11 C12 C13 -0.9(2) . . . . ?
C10 C5 C6 C1 177.46(13) . . . . ?
C10 C5 C6 C7 -2.3(2) . . . . ?
C10 C9 C11 O1 2.48(19) . . . . ?
C10 C9 C11 C12 -176.46(13) . . . . ?
C11 O1 C15 C22 -179.28(11) . . . 5_656 ?
C11 C9 C10 C5 -178.96(13) . . . . ?
C11 C12 C13 C14 -0.3(2) . . . . ?
C12 C13 C14 O2 179.50(12) . . . . ?
C12 C13 C14 C8 -0.1(2) . . . . ?
C14 O2 C16 C17 -173.03(11) . . . . ?
C14 C8 C9 C10 176.20(13) . . . . ?
C14 C8 C9 C11 -2.71(19) . . . . ?
C15 O1 C11 C9 -173.08(12) . . . . ?
C15 O1 C11 C12 5.8(2) . . . . ?
C16 O2 C14 C8 179.86(11) . . . . ?
C16 O2 C14 C13 0.3(2) . . . . ?
C17 O3 C18 C19 -178.86(12) . . . . ?
C18 O3 C17 C16 177.72(12) . . . . ?
C19 O4 C20 C21 170.86(12) . . . . ?
C20 O4 C19 C18 179.01(12) . . . . ?
C21 O5 C22 C15 169.31(12) . . . 5_656 ?
C22 O5 C21 C20 167.80(12) . . . . ?
