#------------------------------------------------------------------------------
#$Date: 2020-11-06 15:14:20 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258977 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/76/7157675.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_7157675
loop_
_publ_author_name
'Mu, Yuanyang'
'Yuan, Yang'
'Wang, Ye'
'Xu, Murong'
'Feng, Ye'
'Zhao, Yulei'
'Li, Yanzhong'
_publ_section_title
;
 Synthesis of indoline-fused eight-membered azaheterocycles through
 Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C
 activation.
;
_journal_issue                   35
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              6916
_journal_page_last               6926
_journal_paper_doi               10.1039/d0ob01626h
_journal_volume                  18
_journal_year                    2020
_chemical_absolute_configuration unk
_chemical_formula_sum            'C34 H25 N O4'
_chemical_formula_weight         511.55
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2020-05-29 deposited with the CCDC.	2020-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.2273(3)
_cell_length_b                   12.6042(5)
_cell_length_c                   29.1348(12)
_cell_measurement_reflns_used    5819
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      53.629
_cell_measurement_theta_min      5.295
_cell_volume                     2654.02(19)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.993
_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  0.0285
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            13426
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.991
_diffrn_reflns_theta_min         2.648
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6689
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.142
_refine_diff_density_min         -0.116
_refine_diff_density_rms         0.026
_refine_ls_abs_structure_details
; 
 Flack x determined using 1516 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.4(5)
_refine_ls_extinction_coef       0.037(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5164
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0452P)²+0.1596P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0931
_reflns_Friedel_coverage         0.743
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.992
_reflns_number_gt                4249
_reflns_number_total             5164
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ob01626h2.cif
_cod_data_source_block           mo_d8v19221_0m
_cod_depositor_comments
'Adding full bibliography for 7157675--7157676.cif.'
_cod_database_code               7157675
_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   0.983
_shelx_estimated_absorpt_t_max   0.989
_shelxl_version_number           2013-4
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'
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 0.5058(3) 0.21231(14) 0.33360(6) 0.0631(6) Uani 1 1 d . . . . .
O2 O 0.3352(2) 0.49280(12) 0.27816(5) 0.0472(4) Uani 1 1 d . . . . .
O3 O -0.0006(3) 0.40226(19) 0.47005(7) 0.0795(7) Uani 1 1 d . . . . .
O4 O 0.2558(3) 0.32461(15) 0.49575(6) 0.0589(5) Uani 1 1 d . . . . .
N1 N 0.2628(3) 0.58455(15) 0.40589(7) 0.0495(5) Uani 1 1 d . . . . .
C1 C 0.4718(4) 0.43456(18) 0.25649(8) 0.0444(6) Uani 1 1 d . . . . .
C2 C 0.5462(4) 0.4788(2) 0.21726(9) 0.0554(7) Uani 1 1 d . . . . .
H2 H 0.5040 0.5438 0.2064 0.067 Uiso 1 1 calc R U . . .
C3 C 0.6836(5) 0.4247(2) 0.19472(10) 0.0676(8) Uani 1 1 d . . . . .
H3 H 0.7365 0.4541 0.1685 0.081 Uiso 1 1 calc R U . . .
C4 C 0.7450(5) 0.3267(2) 0.21034(10) 0.0698(8) Uani 1 1 d . . . . .
H4 H 0.8368 0.2901 0.1945 0.084 Uiso 1 1 calc R U . . .
C5 C 0.6691(4) 0.2846(2) 0.24932(9) 0.0590(7) Uani 1 1 d . . . . .
H5 H 0.7098 0.2189 0.2598 0.071 Uiso 1 1 calc R U . . .
C6 C 0.5321(4) 0.33806(18) 0.27358(8) 0.0464(6) Uani 1 1 d . . . . .
C7 C 0.4564(4) 0.29706(18) 0.31685(8) 0.0461(6) Uani 1 1 d . . . . .
C8 C 0.3187(4) 0.36490(17) 0.33852(8) 0.0422(6) Uani 1 1 d . . . . .
C9 C 0.2632(3) 0.45663(17) 0.31864(8) 0.0413(6) Uani 1 1 d . . . . .
C10 C 0.1104(3) 0.52684(18) 0.33419(8) 0.0422(6) Uani 1 1 d . . . . .
C11 C -0.0426(4) 0.5355(2) 0.30553(9) 0.0580(7) Uani 1 1 d . . . . .
H11 H -0.0442 0.4979 0.2781 0.070 Uiso 1 1 calc R U . . .
C12 C -0.1912(4) 0.5981(2) 0.31666(11) 0.0665(8) Uani 1 1 d . . . . .
H12 H -0.2910 0.6040 0.2967 0.080 Uiso 1 1 calc R U . . .
C13 C -0.1912(4) 0.6524(2) 0.35803(10) 0.0580(7) Uani 1 1 d . . . . .
H13 H -0.2923 0.6939 0.3662 0.070 Uiso 1 1 calc R U . . .
C14 C -0.0423(4) 0.64491(19) 0.38683(9) 0.0488(6) Uani 1 1 d . . . . .
H14 H -0.0445 0.6811 0.4147 0.059 Uiso 1 1 calc R U . . .
C15 C 0.1130(3) 0.58422(18) 0.37546(8) 0.0404(6) Uani 1 1 d . . . . .
C16 C 0.3774(4) 0.49066(19) 0.41796(8) 0.0458(6) Uani 1 1 d . . . . .
H16 H 0.4700 0.4809 0.3938 0.055 Uiso 1 1 calc R U . . .
C17 C 0.2604(4) 0.39166(18) 0.42025(8) 0.0439(6) Uani 1 1 d . . . . .
C18 C 0.2360(3) 0.33066(17) 0.38308(8) 0.0426(6) Uani 1 1 d . . . . .
C19 C 0.4780(4) 0.5271(2) 0.46168(8) 0.0525(7) Uani 1 1 d . . . . .
H19A H 0.4111 0.5058 0.4890 0.063 Uiso 1 1 calc R U . . .
H19B H 0.6027 0.4987 0.4630 0.063 Uiso 1 1 calc R U . . .
C20 C 0.4798(3) 0.64621(19) 0.45635(8) 0.0446(6) Uani 1 1 d . . . . .
C21 C 0.3454(3) 0.67533(18) 0.42415(8) 0.0417(6) Uani 1 1 d . . . . .
C22 C 0.3170(4) 0.78094(18) 0.41320(9) 0.0477(6) Uani 1 1 d . . . . .
H22 H 0.2291 0.8005 0.3915 0.057 Uiso 1 1 calc R U . . .
C23 C 0.4228(4) 0.8566(2) 0.43534(10) 0.0575(7) Uani 1 1 d . . . . .
H23 H 0.4056 0.9279 0.4283 0.069 Uiso 1 1 calc R U . . .
C24 C 0.5528(4) 0.8287(2) 0.46757(10) 0.0625(8) Uani 1 1 d . . . . .
H24 H 0.6209 0.8810 0.4824 0.075 Uiso 1 1 calc R U . . .
C25 C 0.5830(4) 0.7225(2) 0.47805(9) 0.0568(7) Uani 1 1 d . . . . .
H25 H 0.6722 0.7035 0.4995 0.068 Uiso 1 1 calc R U . . .
C26 C 0.1313(4) 0.22923(18) 0.38175(9) 0.0447(6) Uani 1 1 d . . . . .
C27 C 0.1489(4) 0.15211(19) 0.41545(9) 0.0516(6) Uani 1 1 d . . . . .
H27 H 0.2248 0.1644 0.4407 0.062 Uiso 1 1 calc R U . . .
C28 C 0.0543(4) 0.0570(2) 0.41185(10) 0.0557(7) Uani 1 1 d . . . . .
H28 H 0.0683 0.0063 0.4348 0.067 Uiso 1 1 calc R U . . .
C29 C -0.0603(4) 0.0353(2) 0.37512(10) 0.0551(7) Uani 1 1 d . . . . .
C30 C -0.0767(4) 0.1126(2) 0.34183(11) 0.0660(8) Uani 1 1 d . . . . .
H30 H -0.1532 0.1005 0.3167 0.079 Uiso 1 1 calc R U . . .
C31 C 0.0176(4) 0.2071(2) 0.34499(10) 0.0596(8) Uani 1 1 d . . . . .
H31 H 0.0044 0.2573 0.3218 0.072 Uiso 1 1 calc R U . . .
C32 C -0.1620(5) -0.0685(2) 0.37102(13) 0.0837(10) Uani 1 1 d . . . . .
H32A H -0.1167 -0.1067 0.3448 0.126 Uiso 1 1 calc R U . . .
H32B H -0.2919 -0.0550 0.3674 0.126 Uiso 1 1 calc R U . . .
H32C H -0.1422 -0.1098 0.3983 0.126 Uiso 1 1 calc R U . . .
C33 C 0.1548(4) 0.37358(19) 0.46394(9) 0.0484(6) Uani 1 1 d . . . . .
C34 C 0.1667(4) 0.3026(3) 0.53922(9) 0.0691(9) Uani 1 1 d . . . . .
H34A H 0.0571 0.2612 0.5340 0.104 Uiso 1 1 calc R U . . .
H34B H 0.1337 0.3682 0.5538 0.104 Uiso 1 1 calc R U . . .
H34C H 0.2500 0.2637 0.5586 0.104 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
C9 O2 C1 119.23(18) . . ?
C33 O4 C34 117.0(2) . . ?
C21 N1 C15 125.1(2) . . ?
C21 N1 C16 108.88(18) . . ?
C15 N1 C16 125.35(19) . . ?
C2 C1 O2 116.2(2) . . ?
C2 C1 C6 122.0(2) . . ?
O2 C1 C6 121.8(2) . . ?
C3 C2 C1 118.5(3) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 121.1(3) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.3(3) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 117.9(2) . . ?
C1 C6 C7 120.0(2) . . ?
C5 C6 C7 122.1(2) . . ?
O1 C7 C8 122.5(2) . . ?
O1 C7 C6 122.6(2) . . ?
C8 C7 C6 114.9(2) . . ?
C9 C8 C7 121.2(2) . . ?
C9 C8 C18 120.0(2) . . ?
C7 C8 C18 118.7(2) . . ?
C8 C9 O2 122.8(2) . . ?
C8 C9 C10 126.7(2) . . ?
O2 C9 C10 110.31(19) . . ?
C11 C10 C15 119.0(2) . . ?
C11 C10 C9 117.1(2) . . ?
C15 C10 C9 123.9(2) . . ?
C12 C11 C10 121.8(2) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C11 C12 C13 119.3(2) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C14 C13 C12 120.0(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 121.6(2) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
N1 C15 C14 118.0(2) . . ?
N1 C15 C10 123.7(2) . . ?
C14 C15 C10 118.3(2) . . ?
N1 C16 C17 110.89(19) . . ?
N1 C16 C19 102.84(18) . . ?
C17 C16 C19 118.4(2) . . ?
N1 C16 H16 108.1 . . ?
C17 C16 H16 108.1 . . ?
C19 C16 H16 108.1 . . ?
C18 C17 C33 122.1(2) . . ?
C18 C17 C16 120.8(2) . . ?
C33 C17 C16 116.6(2) . . ?
C17 C18 C26 125.6(2) . . ?
C17 C18 C8 119.0(2) . . ?
C26 C18 C8 115.5(2) . . ?
C20 C19 C16 102.4(2) . . ?
C20 C19 H19A 111.3 . . ?
C16 C19 H19A 111.3 . . ?
C20 C19 H19B 111.3 . . ?
C16 C19 H19B 111.3 . . ?
H19A C19 H19B 109.2 . . ?
C25 C20 C21 120.2(2) . . ?
C25 C20 C19 130.9(2) . . ?
C21 C20 C19 108.9(2) . . ?
C22 C21 N1 129.6(2) . . ?
C22 C21 C20 120.6(2) . . ?
N1 C21 C20 109.7(2) . . ?
C23 C22 C21 118.3(2) . . ?
C23 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C24 C23 C22 121.3(3) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 C25 120.3(3) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C20 C25 C24 119.2(3) . . ?
C20 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C31 C26 C27 117.6(2) . . ?
C31 C26 C18 119.8(2) . . ?
C27 C26 C18 122.5(2) . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C29 C28 C27 121.7(2) . . ?
C29 C28 H28 119.1 . . ?
C27 C28 H28 119.1 . . ?
C28 C29 C30 117.2(3) . . ?
C28 C29 C32 121.7(3) . . ?
C30 C29 C32 121.0(3) . . ?
C31 C30 C29 121.4(3) . . ?
C31 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
C30 C31 C26 121.5(3) . . ?
C30 C31 H31 119.3 . . ?
C26 C31 H31 119.3 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O3 C33 O4 123.6(3) . . ?
O3 C33 C17 124.0(2) . . ?
O4 C33 C17 112.4(2) . . ?
O4 C34 H34A 109.5 . . ?
O4 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
O4 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
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 C7 1.227(3) . ?
O2 C9 1.367(3) . ?
O2 C1 1.383(3) . ?
O3 C33 1.193(3) . ?
O4 C33 1.332(3) . ?
O4 C34 1.448(3) . ?
N1 C21 1.396(3) . ?
N1 C15 1.399(3) . ?
N1 C16 1.487(3) . ?
C1 C2 1.380(3) . ?
C1 C6 1.385(3) . ?
C2 C3 1.372(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.389(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.369(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.468(3) . ?
C7 C8 1.456(3) . ?
C8 C9 1.354(3) . ?
C8 C18 1.493(3) . ?
C9 C10 1.486(3) . ?
C10 C11 1.390(4) . ?
C10 C15 1.403(3) . ?
C11 C12 1.371(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.386(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.368(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.398(3) . ?
C14 H14 0.9300 . ?
C16 C17 1.509(3) . ?
C16 C19 1.537(3) . ?
C16 H16 0.9800 . ?
C17 C18 1.340(3) . ?
C17 C33 1.502(3) . ?
C18 C26 1.486(3) . ?
C19 C20 1.510(3) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C25 1.372(3) . ?
C20 C21 1.399(3) . ?
C21 C22 1.384(3) . ?
C22 C23 1.382(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.374(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.389(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C31 1.378(4) . ?
C26 C27 1.387(3) . ?
C27 C28 1.385(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.380(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.380(4) . ?
C29 C32 1.505(4) . ?
C30 C31 1.376(4) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
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
C9 O2 C1 C2 -176.2(2) . . . . ?
C9 O2 C1 C6 2.9(3) . . . . ?
O2 C1 C2 C3 179.3(2) . . . . ?
C6 C1 C2 C3 0.2(4) . . . . ?
C1 C2 C3 C4 1.1(4) . . . . ?
C2 C3 C4 C5 -1.1(5) . . . . ?
C3 C4 C5 C6 -0.2(5) . . . . ?
C2 C1 C6 C5 -1.4(4) . . . . ?
O2 C1 C6 C5 179.5(2) . . . . ?
C2 C1 C6 C7 176.5(2) . . . . ?
O2 C1 C6 C7 -2.6(4) . . . . ?
C4 C5 C6 C1 1.4(4) . . . . ?
C4 C5 C6 C7 -176.5(3) . . . . ?
C1 C6 C7 O1 -179.6(2) . . . . ?
C5 C6 C7 O1 -1.8(4) . . . . ?
C1 C6 C7 C8 0.1(3) . . . . ?
C5 C6 C7 C8 177.9(2) . . . . ?
O1 C7 C8 C9 -178.2(3) . . . . ?
C6 C7 C8 C9 2.1(3) . . . . ?
O1 C7 C8 C18 0.7(4) . . . . ?
C6 C7 C8 C18 -179.0(2) . . . . ?
C7 C8 C9 O2 -1.9(3) . . . . ?
C18 C8 C9 O2 179.2(2) . . . . ?
C7 C8 C9 C10 172.8(2) . . . . ?
C18 C8 C9 C10 -6.1(4) . . . . ?
C1 O2 C9 C8 -0.7(3) . . . . ?
C1 O2 C9 C10 -176.09(18) . . . . ?
C8 C9 C10 C11 -113.8(3) . . . . ?
O2 C9 C10 C11 61.4(3) . . . . ?
C8 C9 C10 C15 66.6(3) . . . . ?
O2 C9 C10 C15 -118.3(2) . . . . ?
C15 C10 C11 C12 -0.4(4) . . . . ?
C9 C10 C11 C12 179.9(3) . . . . ?
C10 C11 C12 C13 -1.5(5) . . . . ?
C11 C12 C13 C14 1.3(4) . . . . ?
C12 C13 C14 C15 0.7(4) . . . . ?
C21 N1 C15 C14 -50.0(3) . . . . ?
C16 N1 C15 C14 140.4(2) . . . . ?
C21 N1 C15 C10 129.8(3) . . . . ?
C16 N1 C15 C10 -39.8(4) . . . . ?
C13 C14 C15 N1 177.2(2) . . . . ?
C13 C14 C15 C10 -2.6(4) . . . . ?
C11 C10 C15 N1 -177.4(2) . . . . ?
C9 C10 C15 N1 2.3(4) . . . . ?
C11 C10 C15 C14 2.4(3) . . . . ?
C9 C10 C15 C14 -178.0(2) . . . . ?
C21 N1 C16 C17 152.7(2) . . . . ?
C15 N1 C16 C17 -36.3(3) . . . . ?
C21 N1 C16 C19 25.2(3) . . . . ?
C15 N1 C16 C19 -163.8(2) . . . . ?
N1 C16 C17 C18 90.7(3) . . . . ?
C19 C16 C17 C18 -150.8(2) . . . . ?
N1 C16 C17 C33 -81.6(3) . . . . ?
C19 C16 C17 C33 36.8(3) . . . . ?
C33 C17 C18 C26 -11.1(4) . . . . ?
C16 C17 C18 C26 177.1(2) . . . . ?
C33 C17 C18 C8 168.8(2) . . . . ?
C16 C17 C18 C8 -3.0(3) . . . . ?
C9 C8 C18 C17 -62.7(3) . . . . ?
C7 C8 C18 C17 118.4(3) . . . . ?
C9 C8 C18 C26 117.2(2) . . . . ?
C7 C8 C18 C26 -61.7(3) . . . . ?
N1 C16 C19 C20 -25.5(3) . . . . ?
C17 C16 C19 C20 -148.1(2) . . . . ?
C16 C19 C20 C25 -163.5(3) . . . . ?
C16 C19 C20 C21 18.6(3) . . . . ?
C15 N1 C21 C22 -8.4(4) . . . . ?
C16 N1 C21 C22 162.7(3) . . . . ?
C15 N1 C21 C20 174.7(2) . . . . ?
C16 N1 C21 C20 -14.2(3) . . . . ?
C25 C20 C21 C22 1.1(4) . . . . ?
C19 C20 C21 C22 179.3(2) . . . . ?
C25 C20 C21 N1 178.3(2) . . . . ?
C19 C20 C21 N1 -3.4(3) . . . . ?
N1 C21 C22 C23 -177.5(2) . . . . ?
C20 C21 C22 C23 -0.9(4) . . . . ?
C21 C22 C23 C24 -0.2(4) . . . . ?
C22 C23 C24 C25 1.1(4) . . . . ?
C21 C20 C25 C24 -0.2(4) . . . . ?
C19 C20 C25 C24 -178.0(3) . . . . ?
C23 C24 C25 C20 -0.9(4) . . . . ?
C17 C18 C26 C31 139.1(3) . . . . ?
C8 C18 C26 C31 -40.8(3) . . . . ?
C17 C18 C26 C27 -43.8(4) . . . . ?
C8 C18 C26 C27 136.3(2) . . . . ?
C31 C26 C27 C28 -0.2(4) . . . . ?
C18 C26 C27 C28 -177.4(2) . . . . ?
C26 C27 C28 C29 -0.2(4) . . . . ?
C27 C28 C29 C30 0.2(4) . . . . ?
C27 C28 C29 C32 179.5(3) . . . . ?
C28 C29 C30 C31 0.2(4) . . . . ?
C32 C29 C30 C31 -179.1(3) . . . . ?
C29 C30 C31 C26 -0.6(5) . . . . ?
C27 C26 C31 C30 0.6(4) . . . . ?
C18 C26 C31 C30 177.8(3) . . . . ?
C34 O4 C33 O3 2.3(4) . . . . ?
C34 O4 C33 C17 -179.6(2) . . . . ?
C18 C17 C33 O3 -79.6(4) . . . . ?
C16 C17 C33 O3 92.6(3) . . . . ?
C18 C17 C33 O4 102.2(3) . . . . ?
C16 C17 C33 O4 -85.6(3) . . . . ?
