#------------------------------------------------------------------------------
#$Date: 2024-05-05 03:54:17 +0300 (Sun, 05 May 2024) $
#$Revision: 291519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/29/7132904.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_7132904
loop_
_publ_author_name
'Sadaphal, Vikas Ashokrao'
'Wu, Tien-Lin'
'Liu, Rai-Shung'
_publ_section_title
;
 Synthesis of two nitrogen-containing polyaromatic compounds through gold
 catalysis/DBU-promoted cyclizations.
;
_journal_issue                   32
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4294
_journal_page_last               4297
_journal_paper_doi               10.1039/d4cc00113c
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C23 H16 N2 O'
_chemical_formula_sum            'C23 H16 N2 O'
_chemical_formula_weight         336.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-08-31
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-09-01 deposited with the CCDC.	2024-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.4803(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.43235(13)
_cell_length_b                   12.20419(15)
_cell_length_c                   11.52302(14)
_cell_measurement_reflns_used    7341
_cell_measurement_temperature    109(6)
_cell_measurement_theta_max      74.2820
_cell_measurement_theta_min      3.5720
_cell_volume                     1707.04(4)
_computing_cell_refinement       'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.96a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      109(6)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     48.00  92.00   0.50    0.05    --   75.94-111.00 150.00   88
  2  ω     58.00  84.00   0.50    0.05    --   83.87-102.00  52.00   52
  3  ω     36.00  61.00   0.50    0.05    --   75.94-102.00  52.00   50
  4  ω     14.00  39.00   0.50    0.05    --   56.25 -95.00 150.00   50
  5  ω     48.00  80.00   0.50    0.05    --   69.31-102.00  52.00   64
  6  ω     55.00  83.00   0.50    0.05    --   83.87 -95.00 150.00   56
  7  ω     12.00  68.00   0.50    0.05    --   56.25-102.00  52.00  112
  8  ω     54.00  83.00   0.50    0.05    --   83.87 -95.00  90.00   58
  9  ω     47.00  91.00   0.50    0.05    --   83.87 -95.00   0.00   88
 10  ω     14.00  52.00   0.50    0.05    --   56.25 -95.00-120.00   76
 11  ω     32.00  76.00   0.50    0.05    --   69.31 -95.00-150.00   88
 12  ω     50.00  92.00   0.50    0.05    --   83.87 -95.00-120.00   84
 13  ω     53.00 117.00   0.50    0.05    --   83.87  15.00  90.00  128
 14  ω     60.00 110.00   0.50    0.05    --   69.31  15.00  30.00  100
 15  ω     70.00  95.00   0.50    0.05    --   83.87  15.00 -60.00   50
 16  ω     98.00 134.00   0.50    0.05    --   83.87  15.00 -60.00   72
 17  ω     81.00 126.00   0.50    0.05    --   75.94  15.00-150.00   90
 18  ω     51.00 111.00   0.50    0.05    --   75.94  15.00-180.00  120
 19  ω    -87.00 -30.00   0.50    0.05    --  -75.32 111.00 -60.00  114
 20  ω    -91.00 -39.00   0.50    0.05    --  -75.32 -15.00-150.00  104
 21  ω    -80.00 -55.00   0.50    0.05    --  -72.13 102.00 155.00   50
 22  ω    -78.00 -52.00   0.50    0.05    --  -75.32 102.00 155.00   52
 23  ω    -50.00 -25.00   0.50    0.05    --  -59.44 102.00 155.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0421176000
_diffrn_orient_matrix_UB_12      0.0301352000
_diffrn_orient_matrix_UB_13      -0.1318977000
_diffrn_orient_matrix_UB_21      -0.0459372000
_diffrn_orient_matrix_UB_22      -0.1168236000
_diffrn_orient_matrix_UB_23      -0.0254156000
_diffrn_orient_matrix_UB_31      -0.1105478000
_diffrn_orient_matrix_UB_32      0.0371625000
_diffrn_orient_matrix_UB_33      0.0267127000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0224
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11901
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.736
_diffrn_reflns_theta_min         3.641
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.96a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_description       needle
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.245
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       0.0027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         3318
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0337
_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)+(0.0414P)²+0.4946P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0890
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3024
_reflns_number_total             3318
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc00113c2.cif
_cod_data_source_block           230884lt_auto
_cod_depositor_comments
'Adding full bibliography for 7132900--7132907.cif.'
_cod_database_code               7132904
_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   0.963
_shelx_estimated_absorpt_t_min   0.862
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15),
 C18(H18), C19(H19), C20(H20), C21(H21), C25(H25), N9(H9)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.173
_oxdiff_exptl_absorpt_empirical_full_min 0.790
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.26772(9) 0.02587(9) 0.30585(9) 0.0190(2) Uani 1 1 d . . . . .
C2 C 0.18054(8) 0.07353(9) 0.34298(9) 0.0193(2) Uani 1 1 d . . . . .
C3 C 0.18780(9) 0.03716(9) 0.46371(9) 0.0198(2) Uani 1 1 d . . . . .
C4 C 0.12230(9) 0.05329(9) 0.54743(10) 0.0232(2) Uani 1 1 d . . . . .
H4 H 0.059829 0.100072 0.529618 0.028 Uiso 1 1 calc R U . . .
C5 C 0.14952(10) 0.00046(10) 0.65610(10) 0.0267(3) Uani 1 1 d . . . . .
H5 H 0.105089 0.010741 0.712727 0.032 Uiso 1 1 calc R U . . .
C6 C 0.24157(10) -0.06775(10) 0.68328(10) 0.0262(3) Uani 1 1 d . . . . .
H6 H 0.258232 -0.103433 0.758300 0.031 Uiso 1 1 calc R U . . .
C7 C 0.30971(9) -0.08510(9) 0.60387(10) 0.0223(2) Uani 1 1 d . . . . .
C8 C 0.28066(9) -0.03230(9) 0.49269(9) 0.0194(2) Uani 1 1 d . . . . .
C10 C 0.09118(9) 0.13943(9) 0.27087(10) 0.0209(2) Uani 1 1 d . . . . .
C11 C 0.04999(10) 0.23198(10) 0.31813(11) 0.0269(3) Uani 1 1 d . . . . .
H11 H 0.082206 0.255046 0.396698 0.032 Uiso 1 1 calc R U . . .
C12 C -0.03779(10) 0.29057(11) 0.25100(12) 0.0336(3) Uani 1 1 d . . . . .
H12 H -0.065153 0.353167 0.284257 0.040 Uiso 1 1 calc R U . . .
C13 C -0.08556(10) 0.25859(11) 0.13643(12) 0.0338(3) Uani 1 1 d . . . . .
H13 H -0.145890 0.298546 0.091251 0.041 Uiso 1 1 calc R U . . .
C14 C -0.04484(10) 0.16794(11) 0.08805(11) 0.0298(3) Uani 1 1 d . . . . .
H14 H -0.077088 0.145859 0.009150 0.036 Uiso 1 1 calc R U . . .
C15 C 0.04281(9) 0.10909(10) 0.15406(10) 0.0239(2) Uani 1 1 d . . . . .
H15 H 0.070403 0.047348 0.119546 0.029 Uiso 1 1 calc R U . . .
C16 C 0.30074(8) 0.03219(9) 0.19027(9) 0.0198(2) Uani 1 1 d . . . . .
C17 C 0.32435(9) 0.13241(9) 0.14173(9) 0.0211(2) Uani 1 1 d . . . . .
C18 C 0.35614(10) 0.13304(10) 0.03277(10) 0.0265(3) Uani 1 1 d . . . . .
H18 H 0.372091 0.200756 -0.000534 0.032 Uiso 1 1 calc R U . . .
C19 C 0.36477(10) 0.03640(11) -0.02754(10) 0.0302(3) Uani 1 1 d . . . . .
H19 H 0.386213 0.038141 -0.101809 0.036 Uiso 1 1 calc R U . . .
C20 C 0.34209(10) -0.06293(10) 0.02055(10) 0.0286(3) Uani 1 1 d . . . . .
H20 H 0.348118 -0.129374 -0.020517 0.034 Uiso 1 1 calc R U . . .
C21 C 0.31065(9) -0.06479(10) 0.12859(10) 0.0239(2) Uani 1 1 d . . . . .
H21 H 0.295535 -0.133007 0.161453 0.029 Uiso 1 1 calc R U . . .
C22 C 0.31728(9) 0.23900(9) 0.20775(10) 0.0235(2) Uani 1 1 d . . . . .
H22A H 0.243148 0.271328 0.179954 0.028 Uiso 1 1 calc R U . . .
H22B H 0.327413 0.223559 0.293779 0.028 Uiso 1 1 calc R U . . .
C23 C 0.40069(9) 0.31792(9) 0.18928(10) 0.0226(2) Uani 1 1 d . . . . .
C25 C 0.40821(10) -0.15195(10) 0.63864(10) 0.0278(3) Uani 1 1 d . . . . .
H25 H 0.423362 -0.182017 0.716529 0.033 Uiso 1 1 calc R U . . .
N9 N 0.32774(7) -0.03812(7) 0.39628(8) 0.0194(2) Uani 1 1 d . . . . .
H9 H 0.386795 -0.076424 0.392254 0.023 Uiso 1 1 calc R U . . .
N24 N 0.46759(8) 0.37714(8) 0.17414(9) 0.0285(2) Uani 1 1 d . . . . .
O26 O 0.47286(7) -0.17248(8) 0.57583(8) 0.0342(2) Uani 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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 C1 C16 130.42(10) . . ?
C2 C1 N9 109.68(9) . . ?
N9 C1 C16 119.88(9) . . ?
C1 C2 C3 106.25(9) . . ?
C1 C2 C10 127.10(10) . . ?
C3 C2 C10 126.39(9) . . ?
C4 C3 C2 133.93(10) . . ?
C4 C3 C8 119.16(10) . . ?
C8 C3 C2 106.85(9) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.45(11) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.7 . . ?
C4 C5 C6 120.63(10) . . ?
C6 C5 H5 119.7 . . ?
C5 C6 H6 119.0 . . ?
C7 C6 C5 122.00(10) . . ?
C7 C6 H6 119.0 . . ?
C6 C7 C8 117.09(10) . . ?
C6 C7 C25 120.04(10) . . ?
C8 C7 C25 122.84(10) . . ?
C7 C8 C3 121.66(10) . . ?
N9 C8 C3 108.12(9) . . ?
N9 C8 C7 130.18(10) . . ?
C11 C10 C2 121.07(10) . . ?
C11 C10 C15 118.08(10) . . ?
C15 C10 C2 120.82(10) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.52(12) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.64(12) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 120.3 . . ?
C12 C13 C14 119.46(11) . . ?
C14 C13 H13 120.3 . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.39(12) . . ?
C15 C14 H14 119.8 . . ?
C10 C15 H15 119.6 . . ?
C14 C15 C10 120.90(11) . . ?
C14 C15 H15 119.6 . . ?
C17 C16 C1 121.86(10) . . ?
C21 C16 C1 119.04(10) . . ?
C21 C16 C17 119.09(10) . . ?
C16 C17 C22 120.49(10) . . ?
C18 C17 C16 119.22(10) . . ?
C18 C17 C22 120.28(10) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 120.97(11) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 119.96(11) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.69(11) . . ?
C21 C20 H20 120.2 . . ?
C16 C21 H21 119.5 . . ?
C20 C21 C16 121.07(11) . . ?
C20 C21 H21 119.5 . . ?
C17 C22 H22A 109.3 . . ?
C17 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 C17 111.78(9) . . ?
C23 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
N24 C23 C22 178.07(12) . . ?
C7 C25 H25 117.4 . . ?
O26 C25 C7 125.18(11) . . ?
O26 C25 H25 117.4 . . ?
C1 N9 H9 125.5 . . ?
C8 N9 C1 109.09(9) . . ?
C8 N9 H9 125.5 . . ?
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
C1 C2 1.3772(15) . ?
C1 C16 1.4780(14) . ?
C1 N9 1.3844(13) . ?
C2 C3 1.4444(15) . ?
C2 C10 1.4739(15) . ?
C3 C4 1.4043(15) . ?
C3 C8 1.4128(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.3838(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.3949(18) . ?
C6 H6 0.9500 . ?
C6 C7 1.3910(16) . ?
C7 C8 1.4095(15) . ?
C7 C25 1.4539(16) . ?
C8 N9 1.3649(13) . ?
C10 C11 1.3983(16) . ?
C10 C15 1.4003(16) . ?
C11 H11 0.9500 . ?
C11 C12 1.3914(17) . ?
C12 H12 0.9500 . ?
C12 C13 1.3816(19) . ?
C13 H13 0.9500 . ?
C13 C14 1.3832(19) . ?
C14 H14 0.9500 . ?
C14 C15 1.3869(16) . ?
C15 H15 0.9500 . ?
C16 C17 1.4021(15) . ?
C16 C21 1.3997(16) . ?
C17 C18 1.3954(15) . ?
C17 C22 1.5190(15) . ?
C18 H18 0.9500 . ?
C18 C19 1.3847(17) . ?
C19 H19 0.9500 . ?
C19 C20 1.3870(18) . ?
C20 H20 0.9500 . ?
C20 C21 1.3833(16) . ?
C21 H21 0.9500 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.4641(15) . ?
C23 N24 1.1434(15) . ?
C25 H25 0.9500 . ?
C25 O26 1.2182(15) . ?
N9 H9 0.8800 . ?
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
C1 C2 C3 C4 -177.23(12) . . . . ?
C1 C2 C3 C8 -0.31(12) . . . . ?
C1 C2 C10 C11 -140.87(12) . . . . ?
C1 C2 C10 C15 41.10(16) . . . . ?
C1 C16 C17 C18 179.39(10) . . . . ?
C1 C16 C17 C22 0.37(16) . . . . ?
C1 C16 C21 C20 -179.53(10) . . . . ?
C2 C1 C16 C17 58.27(16) . . . . ?
C2 C1 C16 C21 -122.91(13) . . . . ?
C2 C1 N9 C8 -0.26(12) . . . . ?
C2 C3 C4 C5 176.23(11) . . . . ?
C2 C3 C8 C7 -177.98(10) . . . . ?
C2 C3 C8 N9 0.16(12) . . . . ?
C2 C10 C11 C12 -177.00(10) . . . . ?
C2 C10 C15 C14 176.84(10) . . . . ?
C3 C2 C10 C11 45.75(16) . . . . ?
C3 C2 C10 C15 -132.28(12) . . . . ?
C3 C4 C5 C6 0.47(17) . . . . ?
C3 C8 N9 C1 0.05(12) . . . . ?
C4 C3 C8 C7 -0.52(16) . . . . ?
C4 C3 C8 N9 177.62(9) . . . . ?
C4 C5 C6 C7 0.39(18) . . . . ?
C5 C6 C7 C8 -1.25(16) . . . . ?
C5 C6 C7 C25 176.53(11) . . . . ?
C6 C7 C8 C3 1.32(16) . . . . ?
C6 C7 C8 N9 -176.37(11) . . . . ?
C6 C7 C25 O26 179.68(12) . . . . ?
C7 C8 N9 C1 177.98(11) . . . . ?
C8 C3 C4 C5 -0.39(16) . . . . ?
C8 C7 C25 O26 -2.68(18) . . . . ?
C10 C2 C3 C4 -2.72(19) . . . . ?
C10 C2 C3 C8 174.19(10) . . . . ?
C10 C11 C12 C13 -0.21(18) . . . . ?
C11 C10 C15 C14 -1.25(16) . . . . ?
C11 C12 C13 C14 -0.54(19) . . . . ?
C12 C13 C14 C15 0.38(18) . . . . ?
C13 C14 C15 C10 0.53(18) . . . . ?
C15 C10 C11 C12 1.09(16) . . . . ?
C16 C1 C2 C3 178.92(11) . . . . ?
C16 C1 C2 C10 4.47(19) . . . . ?
C16 C1 N9 C8 -179.01(9) . . . . ?
C16 C17 C18 C19 -0.11(17) . . . . ?
C16 C17 C22 C23 145.50(10) . . . . ?
C17 C16 C21 C20 -0.68(17) . . . . ?
C17 C18 C19 C20 -0.26(19) . . . . ?
C18 C17 C22 C23 -33.50(14) . . . . ?
C18 C19 C20 C21 0.16(19) . . . . ?
C19 C20 C21 C16 0.31(18) . . . . ?
C21 C16 C17 C18 0.57(16) . . . . ?
C21 C16 C17 C22 -178.44(10) . . . . ?
C22 C17 C18 C19 178.91(11) . . . . ?
C25 C7 C8 C3 -176.39(10) . . . . ?
C25 C7 C8 N9 5.92(18) . . . . ?
N9 C1 C2 C3 0.35(12) . . . . ?
N9 C1 C2 C10 -174.10(10) . . . . ?
N9 C1 C16 C17 -123.28(11) . . . . ?
N9 C1 C16 C21 55.54(14) . . . . ?
