#------------------------------------------------------------------------------
#$Date: 2025-10-06 09:12:07 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302454 $
#$URL: svn://www.crystallography.net/cod/cif/7/13/48/7134835.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_7134835
loop_
_publ_author_name
'Suresh, Vavilapalli'
'Reddy, T. Mahipal'
'Nanubolu, Jagadeesh Babu'
'Reddy, Maddi Sridhar'
_publ_section_title
;
 Pd-catalyzed electrophilic cyclization/C-H annulation cascade of
 1,8-diyne oxime ethers to access fused oxepines.
;
_journal_issue                   66
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12353
_journal_page_last               12356
_journal_paper_doi               10.1039/d5cc03700j
_journal_volume                  61
_journal_year                    2025
_chemical_formula_moiety         'C25 H17 N O2'
_chemical_formula_sum            'C25 H17 N O2'
_chemical_formula_weight         363.39
_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   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2024-12-29 deposited with the CCDC.	2025-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.877(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.5261(4)
_cell_length_b                   10.9889(3)
_cell_length_c                   24.3180(7)
_cell_measurement_reflns_used    4635
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      23.151
_cell_measurement_theta_min      2.355
_cell_volume                     3650.52(18)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON III C7 HPAD'
_diffrn_measurement_method       'ω and φ'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            25810
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         2.355
_diffrn_source                   microfocus
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.198
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4197
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1001
_refine_ls_R_factor_gt           0.0478
_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)+(0.0569P)²+1.7087P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1418
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2386
_reflns_number_total             4197
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5cc03700j2.cif
_cod_data_source_block           KB1611_0m
_cod_depositor_comments          'Adding full bibliography for 7134835.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134835
_shelx_shelxl_version_number     2019/3
_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   0.979
_shelx_estimated_absorpt_t_max   0.985
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
C1 C 0.57026(15) 0.77235(18) 0.43258(9) 0.0521(5) Uani 1 1 d . . . . .
C2 C 0.64304(16) 0.7483(2) 0.40908(10) 0.0614(6) Uani 1 1 d . . . . .
H2 H 0.687525 0.685774 0.424320 0.074 Uiso 1 1 calc R U . . .
C3 C 0.64942(18) 0.8171(2) 0.36323(11) 0.0677(6) Uani 1 1 d . . . . .
H3 H 0.698669 0.801283 0.347804 0.081 Uiso 1 1 calc R U . . .
C4 C 0.5837(2) 0.9085(2) 0.34020(11) 0.0719(7) Uani 1 1 d . . . . .
H4 H 0.587463 0.953457 0.308618 0.086 Uiso 1 1 calc R U . . .
C5 C 0.51202(18) 0.9342(2) 0.36376(10) 0.0630(6) Uani 1 1 d . . . . .
H5 H 0.468186 0.997109 0.348005 0.076 Uiso 1 1 calc R U . . .
C6 C 0.50375(14) 0.86767(17) 0.41074(9) 0.0475(5) Uani 1 1 d . . . . .
C7 C 0.42707(14) 0.89562(16) 0.43571(8) 0.0450(5) Uani 1 1 d . . . . .
C8 C 0.41969(13) 0.85507(15) 0.48959(8) 0.0407(4) Uani 1 1 d . . . . .
C9 C 0.47940(13) 0.78111(15) 0.53608(8) 0.0424(4) Uani 1 1 d . . . . .
C11 C 0.33454(13) 0.90450(16) 0.49125(8) 0.0434(5) Uani 1 1 d . . . . .
C12 C 0.29721(13) 0.88490(16) 0.53713(8) 0.0432(5) Uani 1 1 d . . . . .
C13 C 0.20910(14) 0.93582(17) 0.53915(10) 0.0519(5) Uani 1 1 d . . . . .
H13 H 0.172033 0.986562 0.509192 0.062 Uiso 1 1 calc R U . . .
C14 C 0.17850(16) 0.91056(19) 0.58497(10) 0.0586(6) Uani 1 1 d . . . . .
H14 H 0.120259 0.943560 0.586165 0.070 Uiso 1 1 calc R U . . .
C15 C 0.23448(16) 0.83517(19) 0.63014(10) 0.0583(6) Uani 1 1 d . . . . .
H15 H 0.212871 0.818527 0.661231 0.070 Uiso 1 1 calc R U . . .
C16 C 0.32042(15) 0.78525(18) 0.62968(9) 0.0523(5) Uani 1 1 d . . . . .
H16 H 0.356466 0.735749 0.660500 0.063 Uiso 1 1 calc R U . . .
C17 C 0.35518(13) 0.80787(16) 0.58299(8) 0.0431(4) Uani 1 1 d . . . . .
C18 C 0.44682(13) 0.75704(16) 0.58161(8) 0.0420(4) Uani 1 1 d . . . . .
C19 C 0.50669(13) 0.67782(17) 0.63108(8) 0.0443(5) Uani 1 1 d . . . . .
C20 C 0.59524(15) 0.71795(19) 0.66986(9) 0.0573(6) Uani 1 1 d . . . . .
H20 H 0.616957 0.796013 0.665937 0.069 Uiso 1 1 calc R U . . .
C21 C 0.65193(16) 0.6436(2) 0.71440(9) 0.0612(6) Uani 1 1 d . . . . .
H21 H 0.711126 0.672713 0.739954 0.073 Uiso 1 1 calc R U . . .
C22 C 0.62265(15) 0.5270(2) 0.72179(9) 0.0540(5) Uani 1 1 d . . . . .
C23 C 0.53442(15) 0.48717(19) 0.68276(9) 0.0564(6) Uani 1 1 d . . . . .
H23 H 0.513143 0.408785 0.686512 0.068 Uiso 1 1 calc R U . . .
C24 C 0.47704(15) 0.56081(18) 0.63832(9) 0.0518(5) Uani 1 1 d . . . . .
H24 H 0.417748 0.531558 0.612918 0.062 Uiso 1 1 calc R U . . .
C25 C 0.68541(18) 0.4464(2) 0.77026(10) 0.0793(8) Uani 1 1 d . . . . .
H25A H 0.657040 0.366561 0.766290 0.119 Uiso 1 1 calc R U . . .
H25B H 0.689165 0.480197 0.807358 0.119 Uiso 1 1 calc R U . . .
H25C H 0.749978 0.441098 0.767973 0.119 Uiso 1 1 calc R U . . .
N1 N 0.35289(12) 0.96634(14) 0.40741(7) 0.0537(4) Uani 1 1 d . . . . .
O2 O 0.29197(9) 0.97291(12) 0.44272(6) 0.0521(4) Uani 1 1 d . . . . .
C10 C 0.57392(15) 0.73596(19) 0.53128(9) 0.0524(5) Uani 0.945(3) 1 d . . P A 1
H10A H 0.621033 0.802001 0.540369 0.063 Uiso 0.945(3) 1 calc R U P A 1
H10B H 0.599920 0.671924 0.559809 0.063 Uiso 0.945(3) 1 calc R U P A 1
O1 O 0.56188(10) 0.69005(12) 0.47406(6) 0.0523(5) Uani 0.945(3) 1 d . U P A 1
C10D C 0.57392(15) 0.73596(19) 0.53128(9) 0.0524(5) Uani 0.055(3) 1 d . . P A 2
H10C H 0.621337 0.729263 0.570451 0.063 Uiso 0.055(3) 1 calc R U P A 2
H10D H 0.563033 0.654671 0.514780 0.063 Uiso 0.055(3) 1 calc R U P A 2
O1D O 0.6125(15) 0.802(2) 0.5001(9) 0.046(7) Uani 0.055(3) 1 d . U P A 2
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 C1 O1 116.23(18) . . ?
C2 C1 C6 120.6(2) . . ?
O1 C1 C6 122.82(18) . . ?
C2 C1 O1D 112.7(8) . . ?
C6 C1 O1D 102.4(9) . . ?
C3 C2 C1 120.0(2) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 120.3(2) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.1(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 121.4(2) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C5 C6 C1 117.5(2) . . ?
C5 C6 C7 121.11(19) . . ?
C1 C6 C7 121.39(18) . . ?
N1 C7 C8 111.20(17) . . ?
N1 C7 C6 120.50(18) . . ?
C8 C7 C6 128.30(17) . . ?
C11 C8 C7 104.81(16) . . ?
C11 C8 C9 121.20(17) . . ?
C7 C8 C9 133.99(17) . . ?
C18 C9 C8 117.88(16) . . ?
C18 C9 C10D 125.13(17) . . ?
C8 C9 C10D 116.98(17) . . ?
C18 C9 C10 125.13(17) . . ?
C8 C9 C10 116.98(17) . . ?
O2 C11 C8 110.14(16) . . ?
O2 C11 C12 125.94(16) . . ?
C8 C11 C12 123.91(17) . . ?
C13 C12 C11 124.22(18) . . ?
C13 C12 C17 120.61(18) . . ?
C11 C12 C17 115.16(16) . . ?
C14 C13 C12 120.0(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.0(2) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 121.4(2) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 120.9(2) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C12 117.13(17) . . ?
C16 C17 C18 122.07(17) . . ?
C12 C17 C18 120.79(17) . . ?
C9 C18 C17 121.00(16) . . ?
C9 C18 C19 119.66(16) . . ?
C17 C18 C19 119.34(17) . . ?
C20 C19 C24 117.78(18) . . ?
C20 C19 C18 120.86(17) . . ?
C24 C19 C18 121.32(17) . . ?
C21 C20 C19 120.9(2) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C20 121.5(2) . . ?
C22 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
C21 C22 C23 117.35(19) . . ?
C21 C22 C25 121.0(2) . . ?
C23 C22 C25 121.6(2) . . ?
C24 C23 C22 121.6(2) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C23 C24 C19 120.82(19) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C7 N1 O2 106.24(15) . . ?
C11 O2 N1 107.58(13) . . ?
O1 C10 C9 112.25(16) . . ?
O1 C10 H10A 109.2 . . ?
C9 C10 H10A 109.2 . . ?
O1 C10 H10B 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C1 O1 C10 117.59(15) . . ?
O1D C10D C9 116.5(10) . . ?
O1D C10D H10C 108.2 . . ?
C9 C10D H10C 108.2 . . ?
O1D C10D H10D 108.2 . . ?
C9 C10D H10D 108.2 . . ?
H10C C10D H10D 107.3 . . ?
C10D O1D C1 113.6(15) . . ?
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 1.387(3) . ?
C1 O1 1.391(2) . ?
C1 C6 1.401(3) . ?
C1 O1D 1.58(2) . ?
C2 C3 1.376(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.368(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.395(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.471(3) . ?
C7 N1 1.317(2) . ?
C7 C8 1.422(3) . ?
C8 C11 1.364(2) . ?
C8 C9 1.423(2) . ?
C9 C18 1.370(3) . ?
C9 C10D 1.501(3) . ?
C9 C10 1.501(3) . ?
C11 O2 1.358(2) . ?
C11 C12 1.413(3) . ?
C12 C13 1.413(3) . ?
C12 C17 1.425(3) . ?
C13 C14 1.361(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.395(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.367(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.413(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.454(3) . ?
C18 C19 1.500(2) . ?
C19 C20 1.383(3) . ?
C19 C24 1.386(3) . ?
C20 C21 1.383(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.381(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.381(3) . ?
C22 C25 1.508(3) . ?
C23 C24 1.380(3) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N1 O2 1.429(2) . ?
C10 O1 1.434(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10D O1D 1.30(2) . ?
C10D H10C 0.9700 . ?
C10D H10D 0.9700 . ?
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 C1 C2 C3 172.75(19) . . . . ?
C6 C1 C2 C3 -1.1(3) . . . . ?
O1D C1 C2 C3 -122.4(10) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C2 C3 C4 C5 1.5(4) . . . . ?
C3 C4 C5 C6 -0.7(4) . . . . ?
C4 C5 C6 C1 -1.0(3) . . . . ?
C4 C5 C6 C7 179.93(19) . . . . ?
C2 C1 C6 C5 1.9(3) . . . . ?
O1 C1 C6 C5 -171.58(18) . . . . ?
O1D C1 C6 C5 128.0(8) . . . . ?
C2 C1 C6 C7 -179.06(19) . . . . ?
O1 C1 C6 C7 7.5(3) . . . . ?
O1D C1 C6 C7 -52.9(8) . . . . ?
C5 C6 C7 N1 13.9(3) . . . . ?
C1 C6 C7 N1 -165.15(18) . . . . ?
C5 C6 C7 C8 -166.27(19) . . . . ?
C1 C6 C7 C8 14.7(3) . . . . ?
N1 C7 C8 C11 1.2(2) . . . . ?
C6 C7 C8 C11 -178.66(18) . . . . ?
N1 C7 C8 C9 -178.60(19) . . . . ?
C6 C7 C8 C9 1.6(3) . . . . ?
C11 C8 C9 C18 2.5(3) . . . . ?
C7 C8 C9 C18 -177.74(19) . . . . ?
C11 C8 C9 C10D -177.21(17) . . . . ?
C7 C8 C9 C10D 2.5(3) . . . . ?
C11 C8 C9 C10 -177.21(17) . . . . ?
C7 C8 C9 C10 2.5(3) . . . . ?
C7 C8 C11 O2 -1.0(2) . . . . ?
C9 C8 C11 O2 178.81(15) . . . . ?
C7 C8 C11 C12 178.43(17) . . . . ?
C9 C8 C11 C12 -1.8(3) . . . . ?
O2 C11 C12 C13 -0.7(3) . . . . ?
C8 C11 C12 C13 179.98(18) . . . . ?
O2 C11 C12 C17 179.18(16) . . . . ?
C8 C11 C12 C17 -0.2(3) . . . . ?
C11 C12 C13 C14 179.28(18) . . . . ?
C17 C12 C13 C14 -0.6(3) . . . . ?
C12 C13 C14 C15 0.5(3) . . . . ?
C13 C14 C15 C16 0.0(3) . . . . ?
C14 C15 C16 C17 -0.4(3) . . . . ?
C15 C16 C17 C12 0.3(3) . . . . ?
C15 C16 C17 C18 179.35(18) . . . . ?
C13 C12 C17 C16 0.2(3) . . . . ?
C11 C12 C17 C16 -179.71(16) . . . . ?
C13 C12 C17 C18 -178.88(16) . . . . ?
C11 C12 C17 C18 1.3(2) . . . . ?
C8 C9 C18 C17 -1.4(3) . . . . ?
C10D C9 C18 C17 178.30(17) . . . . ?
C10 C9 C18 C17 178.30(17) . . . . ?
C8 C9 C18 C19 179.03(16) . . . . ?
C10D C9 C18 C19 -1.3(3) . . . . ?
C10 C9 C18 C19 -1.3(3) . . . . ?
C16 C17 C18 C9 -179.46(17) . . . . ?
C12 C17 C18 C9 -0.5(3) . . . . ?
C16 C17 C18 C19 0.1(3) . . . . ?
C12 C17 C18 C19 179.10(16) . . . . ?
C9 C18 C19 C20 69.5(2) . . . . ?
C17 C18 C19 C20 -110.1(2) . . . . ?
C9 C18 C19 C24 -108.2(2) . . . . ?
C17 C18 C19 C24 72.2(2) . . . . ?
C24 C19 C20 C21 -0.2(3) . . . . ?
C18 C19 C20 C21 -177.98(19) . . . . ?
C19 C20 C21 C22 0.1(3) . . . . ?
C20 C21 C22 C23 0.2(3) . . . . ?
C20 C21 C22 C25 179.6(2) . . . . ?
C21 C22 C23 C24 -0.5(3) . . . . ?
C25 C22 C23 C24 -179.9(2) . . . . ?
C22 C23 C24 C19 0.5(3) . . . . ?
C20 C19 C24 C23 -0.1(3) . . . . ?
C18 C19 C24 C23 177.67(18) . . . . ?
C8 C7 N1 O2 -0.9(2) . . . . ?
C6 C7 N1 O2 178.99(15) . . . . ?
C8 C11 O2 N1 0.52(19) . . . . ?
C12 C11 O2 N1 -178.90(17) . . . . ?
C7 N1 O2 C11 0.23(19) . . . . ?
C18 C9 C10 O1 135.19(19) . . . . ?
C8 C9 C10 O1 -45.1(2) . . . . ?
C2 C1 O1 C10 120.5(2) . . . . ?
C6 C1 O1 C10 -65.8(2) . . . . ?
C9 C10 O1 C1 88.2(2) . . . . ?
C18 C9 C10D O1D -153.5(11) . . . . ?
C8 C9 C10D O1D 26.2(11) . . . . ?
C9 C10D O1D C1 -84.9(15) . . . . ?
C2 C1 O1D C10D -127.8(13) . . . . ?
C6 C1 O1D C10D 101.1(15) . . . . ?
