#------------------------------------------------------------------------------
#$Date: 2020-09-06 11:07:42 +0300 (Sun, 06 Sep 2020) $
#$Revision: 255943 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/69/7126986.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_7126986
loop_
_publ_author_name
'Zhang, Jiayong'
'Hao, Jiahang'
'Huang, Zhiqiang'
'Han, Jie'
'He, Zhengjie'
_publ_section_title
;
 PIII-Mediated intramolecular cyclopropanation and metal-free
 synthesis of cyclopropane-fused heterocycles.
;
_journal_issue                   70
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10251
_journal_page_last               10254
_journal_paper_doi               10.1039/d0cc04086j
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C23 H21 N O9'
_chemical_formula_weight         455.41
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-08-16 deposited with the CCDC.	2020-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                97.84(3)
_cell_angle_beta                 105.01(3)
_cell_angle_gamma                103.90(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4995(19)
_cell_length_b                   9.5604(19)
_cell_length_c                   12.684(3)
_cell_measurement_reflns_used    3099
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.8824
_cell_measurement_theta_min      1.7008
_cell_volume                     1055.5(5)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        crystalclear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'rigaku saturn'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0592
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12755
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.882
_diffrn_reflns_theta_min         1.701
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.112
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.7642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_description       prism
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         5013
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0816P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1302
_refine_ls_wR_factor_ref         0.1436
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3276
_reflns_number_total             5013
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc04086j2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7126985--7126988.cif.
;
_cod_original_cell_volume        1055.6(4)
_cod_database_code               7126986
_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_min   0.978
_shelx_estimated_absorpt_t_max   0.987
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 1.03273(12) 1.13281(13) 0.89441(10) 0.0289(3) Uani 1 1 d . . . . .
O2 O 0.97236(13) 1.24434(14) 0.74491(10) 0.0349(3) Uani 1 1 d . . . . .
O3 O 0.45496(13) 0.93118(13) 0.60508(9) 0.0281(3) Uani 1 1 d . . . . .
O4 O 0.64726(13) 0.66641(14) 0.91396(10) 0.0297(3) Uani 1 1 d . . . . .
O5 O 0.46887(14) 0.75985(14) 0.95558(9) 0.0306(3) Uani 1 1 d . . . . .
O6 O 0.35433(16) 0.41394(14) 0.58405(11) 0.0395(4) Uani 1 1 d . . . . .
O7 O 0.34923(14) 0.45934(14) 0.76215(10) 0.0329(3) Uani 1 1 d . . . . .
O8 O -0.16306(14) 0.38146(14) 0.55217(10) 0.0342(3) Uani 1 1 d . . . . .
O9 O -0.30314(14) 0.42611(16) 0.65510(12) 0.0435(4) Uani 1 1 d . . . . .
N1 N -0.18181(16) 0.45169(16) 0.63346(12) 0.0276(3) Uani 1 1 d . . . . .
C1 C 1.0772(2) 1.2626(3) 0.85263(18) 0.0527(6) Uani 1 1 d . . . . .
H1A H 1.075943 1.350057 0.903697 0.063 Uiso 1 1 calc R U . . .
H1B H 1.181663 1.277278 0.847162 0.063 Uiso 1 1 calc R U . . .
C2 C 0.88156(17) 1.06741(19) 0.83169(13) 0.0226(4) Uani 1 1 d . . . . .
C3 C 0.77725(17) 0.95399(18) 0.84981(13) 0.0205(3) Uani 1 1 d . . . . .
H3 H 0.803110 0.910030 0.912181 0.025 Uiso 1 1 calc R U . . .
C4 C 0.63003(17) 0.90513(18) 0.77224(13) 0.0200(3) Uani 1 1 d . . . . .
C5 C 0.59784(18) 0.97539(19) 0.68319(13) 0.0233(4) Uani 1 1 d . . . . .
C6 C 0.70512(19) 1.09000(19) 0.66540(14) 0.0274(4) Uani 1 1 d . . . . .
H6 H 0.681207 1.135211 0.603485 0.033 Uiso 1 1 calc R U . . .
C7 C 0.84678(18) 1.13387(19) 0.74196(14) 0.0258(4) Uani 1 1 d . . . . .
C8 C 0.33371(18) 0.88905(19) 0.65160(14) 0.0255(4) Uani 1 1 d . . . . .
H8A H 0.236004 0.856235 0.590623 0.031 Uiso 1 1 calc R U . . .
H8B H 0.332375 0.976306 0.702859 0.031 Uiso 1 1 calc R U . . .
C9 C 0.50673(17) 0.77701(17) 0.78096(13) 0.0195(3) Uani 1 1 d . . . . .
C10 C 0.54767(18) 0.72489(18) 0.88913(13) 0.0214(3) Uani 1 1 d . . . . .
C11 C 0.4963(2) 0.7114(2) 1.06175(15) 0.0384(5) Uani 1 1 d . . . . .
H11A H 0.581211 0.786658 1.119904 0.046 Uiso 1 1 calc R U . . .
H11B H 0.523851 0.617871 1.053410 0.046 Uiso 1 1 calc R U . . .
C12 C 0.3546(3) 0.6899(3) 1.09424(19) 0.0496(6) Uani 1 1 d . . . . .
H12A H 0.327346 0.782605 1.100910 0.074 Uiso 1 1 calc R U . . .
H12B H 0.370825 0.659537 1.166117 0.074 Uiso 1 1 calc R U . . .
H12C H 0.272006 0.613425 1.037133 0.074 Uiso 1 1 calc R U . . .
C13 C 0.34576(17) 0.76644(17) 0.71507(13) 0.0200(3) Uani 1 1 d . . . . .
C14 C 0.42326(17) 0.65824(17) 0.67305(13) 0.0202(3) Uani 1 1 d . . . . .
H14 H 0.457201 0.675761 0.606420 0.024 Uiso 1 1 calc R U . . .
C15 C 0.37195(18) 0.50145(19) 0.68105(14) 0.0244(4) Uani 1 1 d . . . . .
C16 C 0.3118(3) 0.2552(2) 0.5778(2) 0.0553(6) Uani 1 1 d . . . . .
H16A H 0.383939 0.212398 0.550067 0.066 Uiso 1 1 calc R U . . .
H16B H 0.317984 0.235783 0.653281 0.066 Uiso 1 1 calc R U . . .
C17 C 0.1600(3) 0.1865(3) 0.5044(3) 0.0960(12) Uani 1 1 d . . . . .
H17A H 0.087364 0.218720 0.537190 0.144 Uiso 1 1 calc R U . . .
H17B H 0.138031 0.079165 0.493719 0.144 Uiso 1 1 calc R U . . .
H17C H 0.151027 0.214891 0.432042 0.144 Uiso 1 1 calc R U . . .
C18 C 0.20533(18) 0.71951(18) 0.75007(13) 0.0220(4) Uani 1 1 d . . . . .
C19 C 0.18593(19) 0.8056(2) 0.84051(14) 0.0276(4) Uani 1 1 d . . . . .
H19 H 0.266930 0.888545 0.885504 0.033 Uiso 1 1 calc R U . . .
C20 C 0.0494(2) 0.7708(2) 0.86503(15) 0.0324(4) Uani 1 1 d . . . . .
H20 H 0.038979 0.828643 0.928136 0.039 Uiso 1 1 calc R U . . .
C21 C -0.0719(2) 0.6534(2) 0.79917(15) 0.0309(4) Uani 1 1 d . . . . .
H21 H -0.165556 0.629331 0.815885 0.037 Uiso 1 1 calc R U . . .
C22 C -0.05211(18) 0.57240(18) 0.70832(13) 0.0234(4) Uani 1 1 d . . . . .
C23 C 0.08357(18) 0.60233(18) 0.68230(13) 0.0223(4) Uani 1 1 d . . . . .
H23 H 0.093179 0.543749 0.619213 0.027 Uiso 1 1 calc R U . . .
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'
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'
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
C2 O1 C1 104.31(13) . . ?
C7 O2 C1 104.47(13) . . ?
C5 O3 C8 113.68(12) . . ?
C10 O5 C11 116.91(13) . . ?
C15 O6 C16 117.39(15) . . ?
O8 N1 O9 123.31(16) . . ?
O8 N1 C22 118.08(14) . . ?
O9 N1 C22 118.61(15) . . ?
O2 C1 O1 108.07(15) . . ?
O2 C1 H1A 110.1 . . ?
O1 C1 H1A 110.1 . . ?
O2 C1 H1B 110.1 . . ?
O1 C1 H1B 110.1 . . ?
H1A C1 H1B 108.4 . . ?
C3 C2 C7 122.50(15) . . ?
C3 C2 O1 128.25(15) . . ?
C7 C2 O1 109.25(14) . . ?
C2 C3 C4 117.41(15) . . ?
C2 C3 H3 121.3 . . ?
C4 C3 H3 121.3 . . ?
C5 C4 C3 118.78(14) . . ?
C5 C4 C9 118.92(14) . . ?
C3 C4 C9 122.29(14) . . ?
O3 C5 C6 115.99(14) . . ?
O3 C5 C4 120.77(14) . . ?
C6 C5 C4 123.23(15) . . ?
C7 C6 C5 116.33(15) . . ?
C7 C6 H6 121.8 . . ?
C5 C6 H6 121.8 . . ?
C6 C7 O2 128.27(15) . . ?
C6 C7 C2 121.74(15) . . ?
O2 C7 C2 109.99(14) . . ?
O3 C8 C13 113.49(13) . . ?
O3 C8 H8A 108.9 . . ?
C13 C8 H8A 108.9 . . ?
O3 C8 H8B 108.9 . . ?
C13 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C10 C9 C13 123.89(13) . . ?
C10 C9 C4 113.74(13) . . ?
C13 C9 C4 115.75(14) . . ?
C10 C9 C14 117.36(13) . . ?
C13 C9 C14 59.78(11) . . ?
C4 C9 C14 115.65(13) . . ?
O4 C10 O5 124.38(14) . . ?
O4 C10 C9 123.35(14) . . ?
O5 C10 C9 112.13(13) . . ?
O5 C11 C12 107.90(16) . . ?
O5 C11 H11A 110.1 . . ?
C12 C11 H11A 110.1 . . ?
O5 C11 H11B 110.1 . . ?
C12 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C9 126.79(13) . . ?
C18 C13 C8 109.27(13) . . ?
C9 C13 C8 114.03(13) . . ?
C18 C13 C14 123.07(14) . . ?
C9 C13 C14 61.02(10) . . ?
C8 C13 C14 115.46(14) . . ?
C15 C14 C13 119.10(14) . . ?
C15 C14 C9 119.13(13) . . ?
C13 C14 C9 59.20(10) . . ?
C15 C14 H14 115.9 . . ?
C13 C14 H14 115.9 . . ?
C9 C14 H14 115.9 . . ?
O7 C15 O6 125.11(16) . . ?
O7 C15 C14 125.46(16) . . ?
O6 C15 C14 109.44(14) . . ?
C17 C16 O6 110.6(2) . . ?
C17 C16 H16A 109.5 . . ?
O6 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
O6 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 C19 119.00(15) . . ?
C23 C18 C13 119.64(15) . . ?
C19 C18 C13 120.62(15) . . ?
C20 C19 C18 120.46(17) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 121.05(17) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C22 C21 C20 117.64(16) . . ?
C22 C21 H21 121.2 . . ?
C20 C21 H21 121.2 . . ?
C21 C22 C23 122.91(16) . . ?
C21 C22 N1 118.76(15) . . ?
C23 C22 N1 118.29(15) . . ?
C22 C23 C18 118.87(16) . . ?
C22 C23 H23 120.6 . . ?
C18 C23 H23 120.6 . . ?
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 C2 1.3882(19) . ?
O1 C1 1.429(2) . ?
O2 C7 1.379(2) . ?
O2 C1 1.427(2) . ?
O3 C5 1.3842(19) . ?
O3 C8 1.425(2) . ?
O4 C10 1.2061(19) . ?
O5 C10 1.3239(19) . ?
O5 C11 1.464(2) . ?
O6 C15 1.337(2) . ?
O6 C16 1.459(2) . ?
O7 C15 1.205(2) . ?
O8 N1 1.2286(19) . ?
O9 N1 1.2289(17) . ?
N1 C22 1.471(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.371(2) . ?
C2 C7 1.383(2) . ?
C3 C4 1.411(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.396(2) . ?
C4 C9 1.516(2) . ?
C5 C6 1.393(2) . ?
C6 C7 1.368(2) . ?
C6 H6 0.9500 . ?
C8 C13 1.520(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.512(2) . ?
C9 C13 1.512(2) . ?
C9 C14 1.540(2) . ?
C11 C12 1.484(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.501(2) . ?
C13 C14 1.521(2) . ?
C14 C15 1.487(2) . ?
C14 H14 1.0000 . ?
C16 C17 1.436(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C23 1.390(2) . ?
C18 C19 1.397(2) . ?
C19 C20 1.386(2) . ?
C19 H19 0.9500 . ?
C20 C21 1.382(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.379(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(2) . ?
C23 H23 0.9500 . ?
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
C7 O2 C1 O1 19.0(2) . . . . ?
C2 O1 C1 O2 -19.5(2) . . . . ?
C1 O1 C2 C3 -168.11(19) . . . . ?
C1 O1 C2 C7 12.5(2) . . . . ?
C7 C2 C3 C4 0.3(3) . . . . ?
O1 C2 C3 C4 -178.95(15) . . . . ?
C2 C3 C4 C5 -1.0(2) . . . . ?
C2 C3 C4 C9 177.71(14) . . . . ?
C8 O3 C5 C6 -143.93(16) . . . . ?
C8 O3 C5 C4 37.4(2) . . . . ?
C3 C4 C5 O3 -179.98(14) . . . . ?
C9 C4 C5 O3 1.3(2) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C9 C4 C5 C6 -177.33(16) . . . . ?
O3 C5 C6 C7 -179.72(15) . . . . ?
C4 C5 C6 C7 -1.1(3) . . . . ?
C5 C6 C7 O2 -179.35(16) . . . . ?
C5 C6 C7 C2 0.3(3) . . . . ?
C1 O2 C7 C6 168.5(2) . . . . ?
C1 O2 C7 C2 -11.2(2) . . . . ?
C3 C2 C7 C6 0.0(3) . . . . ?
O1 C2 C7 C6 179.40(16) . . . . ?
C3 C2 C7 O2 179.74(16) . . . . ?
O1 C2 C7 O2 -0.9(2) . . . . ?
C5 O3 C8 C13 -56.92(19) . . . . ?
C5 C4 C9 C10 -171.61(14) . . . . ?
C3 C4 C9 C10 9.7(2) . . . . ?
C5 C4 C9 C13 -18.9(2) . . . . ?
C3 C4 C9 C13 162.34(14) . . . . ?
C5 C4 C9 C14 48.2(2) . . . . ?
C3 C4 C9 C14 -130.51(16) . . . . ?
C11 O5 C10 O4 -5.8(3) . . . . ?
C11 O5 C10 C9 178.46(14) . . . . ?
C13 C9 C10 O4 142.72(17) . . . . ?
C4 C9 C10 O4 -67.2(2) . . . . ?
C14 C9 C10 O4 72.3(2) . . . . ?
C13 C9 C10 O5 -41.5(2) . . . . ?
C4 C9 C10 O5 108.60(16) . . . . ?
C14 C9 C10 O5 -111.93(16) . . . . ?
C10 O5 C11 C12 -151.35(17) . . . . ?
C10 C9 C13 C18 6.9(2) . . . . ?
C4 C9 C13 C18 -142.63(16) . . . . ?
C14 C9 C13 C18 111.39(18) . . . . ?
C10 C9 C13 C8 148.63(15) . . . . ?
C4 C9 C13 C8 -0.9(2) . . . . ?
C14 C9 C13 C8 -106.93(15) . . . . ?
C10 C9 C13 C14 -104.45(17) . . . . ?
C4 C9 C13 C14 105.98(15) . . . . ?
O3 C8 C13 C18 -174.08(13) . . . . ?
O3 C8 C13 C9 37.65(19) . . . . ?
O3 C8 C13 C14 -30.31(19) . . . . ?
C18 C13 C14 C15 -8.7(2) . . . . ?
C9 C13 C14 C15 108.47(16) . . . . ?
C8 C13 C14 C15 -146.94(15) . . . . ?
C18 C13 C14 C9 -117.14(16) . . . . ?
C8 C13 C14 C9 104.59(15) . . . . ?
C10 C9 C14 C15 6.7(2) . . . . ?
C13 C9 C14 C15 -108.42(16) . . . . ?
C4 C9 C14 C15 145.45(15) . . . . ?
C10 C9 C14 C13 115.16(15) . . . . ?
C4 C9 C14 C13 -106.14(16) . . . . ?
C16 O6 C15 O7 -3.3(3) . . . . ?
C16 O6 C15 C14 176.87(16) . . . . ?
C13 C14 C15 O7 -46.4(2) . . . . ?
C9 C14 C15 O7 22.5(2) . . . . ?
C13 C14 C15 O6 133.44(15) . . . . ?
C9 C14 C15 O6 -157.71(14) . . . . ?
C15 O6 C16 C17 111.8(3) . . . . ?
C9 C13 C18 C23 -123.51(18) . . . . ?
C8 C13 C18 C23 93.35(18) . . . . ?
C14 C13 C18 C23 -47.1(2) . . . . ?
C9 C13 C18 C19 66.4(2) . . . . ?
C8 C13 C18 C19 -76.72(18) . . . . ?
C14 C13 C18 C19 142.83(16) . . . . ?
C23 C18 C19 C20 2.7(2) . . . . ?
C13 C18 C19 C20 172.85(16) . . . . ?
C18 C19 C20 C21 -1.9(3) . . . . ?
C19 C20 C21 C22 -0.1(3) . . . . ?
C20 C21 C22 C23 1.2(3) . . . . ?
C20 C21 C22 N1 -176.83(16) . . . . ?
O8 N1 C22 C21 179.23(15) . . . . ?
O9 N1 C22 C21 -0.7(2) . . . . ?
O8 N1 C22 C23 1.1(2) . . . . ?
O9 N1 C22 C23 -178.87(14) . . . . ?
C21 C22 C23 C18 -0.4(3) . . . . ?
N1 C22 C23 C18 177.68(14) . . . . ?
C19 C18 C23 C22 -1.6(2) . . . . ?
C13 C18 C23 C22 -171.83(14) . . . . ?
