#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:57:44 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257917 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/75/7157592.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_7157592
loop_
_publ_author_name
'Yang, Ye-Fei'
'Huang, Xiao-Bo'
'Gao, Wen-Xia'
'Zhou, Yun-Bing'
'Liu, Miao-Chang'
'Wu, Hua-Yue'
_publ_section_title
;
 Ag₂O-promoted ring-opening reactions of cyclopropenones with
 oximes.
;
_journal_issue                   30
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              5822
_journal_page_last               5825
_journal_paper_doi               10.1039/d0ob00601g
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C38 H29 N O3'
_chemical_formula_weight         547.62
_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-2013
_audit_update_record
;
2019-05-20 deposited with the CCDC.	2020-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                103.2290(10)
_cell_angle_beta                 97.7420(10)
_cell_angle_gamma                105.1910(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8324(3)
_cell_length_b                   10.2354(3)
_cell_length_c                   15.6234(5)
_cell_measurement_reflns_used    9291
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      54.524
_cell_measurement_theta_min      5.677
_cell_volume                     1445.05(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0393
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25719
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.369
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7096
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.146
_refine_diff_density_min         -0.164
_refine_diff_density_rms         0.030
_refine_ls_extinction_coef       0.052(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         5643
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0410
_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)+(0.0476P)²+0.2695P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1110
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4472
_reflns_number_total             5643
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ob00601g2.cif
_cod_data_source_block           mo_dd18068_0m
_cod_depositor_comments
;Adding full bibliography for 7157592.cif.

 Adding full bibliography for 7157592.cif.
;
_cod_database_code               7157592
_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. 
;
_shelxl_version_number           2013-4
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 0.71380(11) 0.79299(11) 0.86846(6) 0.0466(3) Uani 1 1 d . . . . .
O2 O 0.62485(10) 0.70234(10) 0.60025(6) 0.0433(2) Uani 1 1 d . . . . .
O3 O 0.36770(12) 0.50359(15) 0.74758(10) 0.0767(4) Uani 1 1 d . . . . .
N1 N 0.56269(12) 0.66993(12) 0.73370(8) 0.0415(3) Uani 1 1 d . . . . .
C1 C 0.69001(14) 0.77271(14) 0.78744(9) 0.0379(3) Uani 1 1 d . . . . .
C2 C 0.78710(14) 0.84231(14) 0.73717(9) 0.0364(3) Uani 1 1 d . . . . .
C3 C 0.75802(14) 0.78894(14) 0.64617(9) 0.0374(3) Uani 1 1 d . . . . .
C4 C 0.51002(14) 0.69823(15) 0.64982(9) 0.0415(3) Uani 1 1 d . . . . .
C5 C 0.38289(17) 0.58230(19) 0.58696(11) 0.0581(4) Uani 1 1 d . . . . .
H5A H 0.3653 0.6030 0.5303 0.087 Uiso 1 1 calc R U . . .
H5B H 0.2991 0.5762 0.6129 0.087 Uiso 1 1 calc R U . . .
H5C H 0.4037 0.4942 0.5778 0.087 Uiso 1 1 calc R U . . .
C6 C 0.47817(15) 0.83931(16) 0.66930(9) 0.0444(3) Uani 1 1 d . . . . .
C7 C 0.40142(18) 0.8696(2) 0.73551(11) 0.0582(4) Uani 1 1 d . . . . .
H7 H 0.3743 0.8063 0.7689 0.070 Uiso 1 1 calc R U . . .
C8 C 0.3650(2) 0.9935(2) 0.75215(13) 0.0750(6) Uani 1 1 d . . . . .
H8 H 0.3132 1.0128 0.7966 0.090 Uiso 1 1 calc R U . . .
C9 C 0.4048(2) 1.0879(2) 0.70346(15) 0.0784(6) Uani 1 1 d . . . . .
H9 H 0.3802 1.1711 0.7148 0.094 Uiso 1 1 calc R U . . .
C10 C 0.4806(2) 1.0590(2) 0.63830(15) 0.0738(5) Uani 1 1 d . . . . .
H10 H 0.5084 1.1233 0.6056 0.089 Uiso 1 1 calc R U . . .
C11 C 0.51664(18) 0.93467(19) 0.62043(12) 0.0581(4) Uani 1 1 d . . . . .
H11 H 0.5670 0.9154 0.5752 0.070 Uiso 1 1 calc R U . . .
C12 C 0.85805(15) 0.80612(14) 0.58440(9) 0.0394(3) Uani 1 1 d . . . . .
C13 C 0.80813(17) 0.80160(17) 0.49584(10) 0.0510(4) Uani 1 1 d . . . . .
H13 H 0.7120 0.7942 0.4765 0.061 Uiso 1 1 calc R U . . .
C14 C 0.8998(2) 0.80805(19) 0.43648(11) 0.0608(4) Uani 1 1 d . . . . .
H14 H 0.8656 0.8061 0.3776 0.073 Uiso 1 1 calc R U . . .
C15 C 1.04150(19) 0.81738(18) 0.46414(11) 0.0589(4) Uani 1 1 d . . . . .
H15 H 1.1030 0.8212 0.4239 0.071 Uiso 1 1 calc R U . . .
C16 C 1.09240(18) 0.82112(18) 0.55126(11) 0.0565(4) Uani 1 1 d . . . . .
H16 H 1.1884 0.8273 0.5698 0.068 Uiso 1 1 calc R U . . .
C17 C 1.00185(16) 0.81579(16) 0.61140(10) 0.0478(4) Uani 1 1 d . . . . .
H17 H 1.0371 0.8187 0.6703 0.057 Uiso 1 1 calc R U . . .
C18 C 0.91224(14) 0.96620(14) 0.78706(9) 0.0369(3) Uani 1 1 d . . . . .
C19 C 0.93605(17) 1.08765(16) 0.75838(10) 0.0485(4) Uani 1 1 d . . . . .
H19 H 0.8773 1.0873 0.7064 0.058 Uiso 1 1 calc R U . . .
C20 C 1.04497(19) 1.20848(17) 0.80552(12) 0.0587(4) Uani 1 1 d . . . . .
H20 H 1.0607 1.2881 0.7846 0.070 Uiso 1 1 calc R U . . .
C21 C 1.13030(18) 1.21135(18) 0.88346(12) 0.0598(4) Uani 1 1 d . . . . .
H21 H 1.2024 1.2937 0.9161 0.072 Uiso 1 1 calc R U . . .
C22 C 1.10934(16) 1.09239(18) 0.91345(11) 0.0541(4) Uani 1 1 d . . . . .
H22 H 1.1676 1.0944 0.9661 0.065 Uiso 1 1 calc R U . . .
C23 C 1.00172(15) 0.97007(16) 0.86527(9) 0.0433(3) Uani 1 1 d . . . . .
H23 H 0.9890 0.8897 0.8853 0.052 Uiso 1 1 calc R U . . .
C24 C 0.49761(16) 0.55246(16) 0.76282(11) 0.0485(4) Uani 1 1 d . . . . .
C25 C 0.59657(15) 0.48860(15) 0.80862(10) 0.0444(3) Uani 1 1 d . . . . .
C26 C 0.54157(16) 0.41642(15) 0.86419(10) 0.0472(4) Uani 1 1 d . . . . .
H26 H 0.4521 0.4240 0.8733 0.057 Uiso 1 1 calc R U . . .
C27 C 0.59546(15) 0.32807(15) 0.91320(10) 0.0446(3) Uani 1 1 d . . . . .
C28 C 0.52857(17) 0.29491(17) 0.98176(10) 0.0512(4) Uani 1 1 d . . . . .
H28 H 0.4563 0.3335 0.9966 0.061 Uiso 1 1 calc R U . . .
C29 C 0.56656(19) 0.2066(2) 1.02814(12) 0.0625(5) Uani 1 1 d . . . . .
H29 H 0.5210 0.1868 1.0742 0.075 Uiso 1 1 calc R U . . .
C30 C 0.6722(2) 0.1476(2) 1.00638(13) 0.0672(5) Uani 1 1 d . . . . .
H30 H 0.6986 0.0880 1.0377 0.081 Uiso 1 1 calc R U . . .
C31 C 0.7387(2) 0.17717(19) 0.93803(13) 0.0649(5) Uani 1 1 d . . . . .
H31 H 0.8096 0.1366 0.9230 0.078 Uiso 1 1 calc R U . . .
C32 C 0.70156(18) 0.26584(18) 0.89176(12) 0.0575(4) Uani 1 1 d . . . . .
H32 H 0.7475 0.2847 0.8457 0.069 Uiso 1 1 calc R U . . .
C33 C 0.74118(16) 0.50428(15) 0.78625(11) 0.0478(4) Uani 1 1 d . . . . .
C34 C 0.86620(18) 0.55927(18) 0.85208(14) 0.0632(5) Uani 1 1 d . . . . .
H34 H 0.8609 0.5869 0.9122 0.076 Uiso 1 1 calc R U . . .
C35 C 0.9998(2) 0.5733(2) 0.8285(2) 0.0864(7) Uani 1 1 d . . . . .
H35 H 1.0835 0.6092 0.8729 0.104 Uiso 1 1 calc R U . . .
C36 C 1.0080(3) 0.5341(3) 0.7395(2) 0.0975(9) Uani 1 1 d . . . . .
H36 H 1.0973 0.5434 0.7238 0.117 Uiso 1 1 calc R U . . .
C37 C 0.8865(3) 0.4822(2) 0.67472(19) 0.0892(7) Uani 1 1 d . . . . .
H37 H 0.8927 0.4567 0.6146 0.107 Uiso 1 1 calc R U . . .
C38 C 0.7540(2) 0.46690(19) 0.69717(13) 0.0639(5) Uani 1 1 d . . . . .
H38 H 0.6714 0.4309 0.6519 0.077 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
C3 O2 C4 115.79(10) . . ?
C24 N1 C1 119.96(12) . . ?
C24 N1 C4 125.58(12) . . ?
C1 N1 C4 114.46(11) . . ?
O1 C1 N1 119.92(12) . . ?
O1 C1 C2 125.29(13) . . ?
N1 C1 C2 114.72(11) . . ?
C3 C2 C1 117.87(12) . . ?
C3 C2 C18 123.19(12) . . ?
C1 C2 C18 118.94(11) . . ?
C2 C3 O2 121.40(12) . . ?
C2 C3 C12 128.02(12) . . ?
O2 C3 C12 110.50(11) . . ?
O2 C4 N1 105.65(10) . . ?
O2 C4 C5 103.64(11) . . ?
N1 C4 C5 115.24(12) . . ?
O2 C4 C6 110.55(11) . . ?
N1 C4 C6 110.42(11) . . ?
C5 C4 C6 110.96(12) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C11 C6 C7 118.67(15) . . ?
C11 C6 C4 122.46(14) . . ?
C7 C6 C4 118.79(14) . . ?
C8 C7 C6 120.36(18) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C9 C8 C7 120.39(19) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 119.61(18) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 120.55(19) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C6 C11 C10 120.43(17) . . ?
C6 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C13 C12 C17 118.58(13) . . ?
C13 C12 C3 120.62(13) . . ?
C17 C12 C3 120.60(12) . . ?
C14 C13 C12 120.60(15) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C13 120.12(15) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.04(14) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 120.30(15) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C12 120.35(14) . . ?
C16 C17 H17 119.8 . . ?
C12 C17 H17 119.8 . . ?
C19 C18 C23 118.06(13) . . ?
C19 C18 C2 118.83(12) . . ?
C23 C18 C2 122.96(12) . . ?
C20 C19 C18 121.24(14) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C21 C20 C19 119.94(15) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.08(15) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 120.05(15) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C18 120.60(14) . . ?
C22 C23 H23 119.7 . . ?
C18 C23 H23 119.7 . . ?
O3 C24 N1 120.57(14) . . ?
O3 C24 C25 122.56(14) . . ?
N1 C24 C25 116.80(12) . . ?
C26 C25 C33 126.09(14) . . ?
C26 C25 C24 115.40(13) . . ?
C33 C25 C24 118.45(12) . . ?
C25 C26 C27 132.33(14) . . ?
C25 C26 H26 113.8 . . ?
C27 C26 H26 113.8 . . ?
C28 C27 C32 117.46(14) . . ?
C28 C27 C26 117.57(13) . . ?
C32 C27 C26 124.78(13) . . ?
C29 C28 C27 121.68(14) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 119.81(15) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C31 C30 C29 119.67(16) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C32 C31 C30 120.75(15) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C31 C32 C27 120.62(15) . . ?
C31 C32 H32 119.7 . . ?
C27 C32 H32 119.7 . . ?
C34 C33 C38 118.06(16) . . ?
C34 C33 C25 121.82(15) . . ?
C38 C33 C25 120.10(15) . . ?
C33 C34 C35 120.2(2) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 120.0(2) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C37 C36 C35 120.1(2) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C36 C37 C38 120.4(2) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 H37 119.8 . . ?
C37 C38 C33 121.2(2) . . ?
C37 C38 H38 119.4 . . ?
C33 C38 H38 119.4 . . ?
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 C1 1.2143(16) . ?
O2 C3 1.3647(16) . ?
O2 C4 1.4498(16) . ?
O3 C24 1.2112(18) . ?
N1 C24 1.4099(18) . ?
N1 C1 1.4147(18) . ?
N1 C4 1.4625(17) . ?
C1 C2 1.4620(18) . ?
C2 C3 1.3618(18) . ?
C2 C18 1.4836(19) . ?
C3 C12 1.4739(18) . ?
C4 C5 1.514(2) . ?
C4 C6 1.529(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C11 1.380(2) . ?
C6 C7 1.386(2) . ?
C7 C8 1.384(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.373(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.364(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.387(3) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.390(2) . ?
C12 C17 1.391(2) . ?
C13 C14 1.378(2) . ?
C13 H13 0.9300 . ?
C14 C15 1.374(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.374(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(2) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.390(2) . ?
C18 C23 1.3922(19) . ?
C19 C20 1.377(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.372(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.378(2) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(2) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.499(2) . ?
C25 C26 1.343(2) . ?
C25 C33 1.487(2) . ?
C26 C27 1.464(2) . ?
C26 H26 0.9300 . ?
C27 C28 1.391(2) . ?
C27 C32 1.397(2) . ?
C28 C29 1.373(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.375(2) . ?
C29 H29 0.9300 . ?
C30 C31 1.375(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.372(2) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.385(2) . ?
C33 C38 1.389(2) . ?
C34 C35 1.392(3) . ?
C34 H34 0.9300 . ?
C35 C36 1.376(4) . ?
C35 H35 0.9300 . ?
C36 C37 1.353(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.373(3) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
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
C24 N1 C1 O1 -28.19(18) . . . . ?
C4 N1 C1 O1 151.79(12) . . . . ?
C24 N1 C1 C2 149.01(12) . . . . ?
C4 N1 C1 C2 -31.01(15) . . . . ?
O1 C1 C2 C3 167.49(13) . . . . ?
N1 C1 C2 C3 -9.53(17) . . . . ?
O1 C1 C2 C18 -12.1(2) . . . . ?
N1 C1 C2 C18 170.83(11) . . . . ?
C1 C2 C3 O2 18.66(18) . . . . ?
C18 C2 C3 O2 -161.72(12) . . . . ?
C1 C2 C3 C12 -157.99(13) . . . . ?
C18 C2 C3 C12 21.6(2) . . . . ?
C4 O2 C3 C2 14.21(17) . . . . ?
C4 O2 C3 C12 -168.61(11) . . . . ?
C3 O2 C4 N1 -51.58(14) . . . . ?
C3 O2 C4 C5 -173.16(12) . . . . ?
C3 O2 C4 C6 67.89(14) . . . . ?
C24 N1 C4 O2 -119.79(13) . . . . ?
C1 N1 C4 O2 60.23(14) . . . . ?
C24 N1 C4 C5 -6.0(2) . . . . ?
C1 N1 C4 C5 173.98(12) . . . . ?
C24 N1 C4 C6 120.65(15) . . . . ?
C1 N1 C4 C6 -59.33(14) . . . . ?
O2 C4 C6 C11 20.60(18) . . . . ?
N1 C4 C6 C11 137.15(14) . . . . ?
C5 C4 C6 C11 -93.80(17) . . . . ?
O2 C4 C6 C7 -162.71(12) . . . . ?
N1 C4 C6 C7 -46.16(17) . . . . ?
C5 C4 C6 C7 82.88(16) . . . . ?
C11 C6 C7 C8 -0.3(2) . . . . ?
C4 C6 C7 C8 -177.06(15) . . . . ?
C6 C7 C8 C9 -0.2(3) . . . . ?
C7 C8 C9 C10 0.1(3) . . . . ?
C8 C9 C10 C11 0.5(3) . . . . ?
C7 C6 C11 C10 0.8(2) . . . . ?
C4 C6 C11 C10 177.53(15) . . . . ?
C9 C10 C11 C6 -1.0(3) . . . . ?
C2 C3 C12 C13 -151.64(15) . . . . ?
O2 C3 C12 C13 31.42(18) . . . . ?
C2 C3 C12 C17 33.6(2) . . . . ?
O2 C3 C12 C17 -143.39(13) . . . . ?
C17 C12 C13 C14 -0.7(2) . . . . ?
C3 C12 C13 C14 -175.56(14) . . . . ?
C12 C13 C14 C15 0.8(3) . . . . ?
C13 C14 C15 C16 -0.4(3) . . . . ?
C14 C15 C16 C17 -0.1(3) . . . . ?
C15 C16 C17 C12 0.2(3) . . . . ?
C13 C12 C17 C16 0.2(2) . . . . ?
C3 C12 C17 C16 175.08(14) . . . . ?
C3 C2 C18 C19 49.91(18) . . . . ?
C1 C2 C18 C19 -130.47(13) . . . . ?
C3 C2 C18 C23 -134.65(14) . . . . ?
C1 C2 C18 C23 44.97(18) . . . . ?
C23 C18 C19 C20 0.1(2) . . . . ?
C2 C18 C19 C20 175.81(13) . . . . ?
C18 C19 C20 C21 -1.5(2) . . . . ?
C19 C20 C21 C22 1.6(3) . . . . ?
C20 C21 C22 C23 -0.3(2) . . . . ?
C21 C22 C23 C18 -1.0(2) . . . . ?
C19 C18 C23 C22 1.1(2) . . . . ?
C2 C18 C23 C22 -174.38(13) . . . . ?
C1 N1 C24 O3 144.12(16) . . . . ?
C4 N1 C24 O3 -35.9(2) . . . . ?
C1 N1 C24 C25 -38.81(19) . . . . ?
C4 N1 C24 C25 141.22(14) . . . . ?
O3 C24 C25 C26 -27.1(2) . . . . ?
N1 C24 C25 C26 155.86(14) . . . . ?
O3 C24 C25 C33 150.16(17) . . . . ?
N1 C24 C25 C33 -26.8(2) . . . . ?
C33 C25 C26 C27 -4.4(3) . . . . ?
C24 C25 C26 C27 172.70(16) . . . . ?
C25 C26 C27 C28 165.07(17) . . . . ?
C25 C26 C27 C32 -20.1(3) . . . . ?
C32 C27 C28 C29 1.2(2) . . . . ?
C26 C27 C28 C29 176.45(16) . . . . ?
C27 C28 C29 C30 -0.7(3) . . . . ?
C28 C29 C30 C31 -0.2(3) . . . . ?
C29 C30 C31 C32 0.5(3) . . . . ?
C30 C31 C32 C27 0.0(3) . . . . ?
C28 C27 C32 C31 -0.9(3) . . . . ?
C26 C27 C32 C31 -175.75(17) . . . . ?
C26 C25 C33 C34 -56.7(2) . . . . ?
C24 C25 C33 C34 126.33(16) . . . . ?
C26 C25 C33 C38 125.04(18) . . . . ?
C24 C25 C33 C38 -51.9(2) . . . . ?
C38 C33 C34 C35 -1.2(2) . . . . ?
C25 C33 C34 C35 -179.52(15) . . . . ?
C33 C34 C35 C36 0.8(3) . . . . ?
C34 C35 C36 C37 0.1(3) . . . . ?
C35 C36 C37 C38 -0.6(3) . . . . ?
C36 C37 C38 C33 0.1(3) . . . . ?
C34 C33 C38 C37 0.8(2) . . . . ?
C25 C33 C38 C37 179.11(16) . . . . ?
