#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:29:51 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281501 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/22/7062216.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_7062216
loop_
_publ_author_name
'Zubaş, Andreea'
'Ghinet, Alina'
'Shova, Sergiu'
'Bîcu, Elena'
_publ_section_title
;
 1,3-Dipolar cycloaddition of cycloimmonium salts and
 4-(trimethylsilyl)-3-butyn-2-one to access new functionalized indolizines
 with potential cytostatic activity
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3758
_journal_page_last               3772
_journal_paper_doi               10.1039/D2NJ05257A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C21 H19 Br N2 O2 Si'
_chemical_formula_sum            'C21 H19 Br N2 O2 Si'
_chemical_formula_weight         439.38
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2022-07-18
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-10-14 deposited with the CCDC.	2023-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                114.403(8)
_cell_angle_beta                 100.557(6)
_cell_angle_gamma                92.945(7)
_cell_formula_units_Z            2
_cell_length_a                   9.7796(7)
_cell_length_b                   10.0750(10)
_cell_length_c                   11.8548(8)
_cell_measurement_reflns_used    3047
_cell_measurement_temperature    239.95(10)
_cell_measurement_theta_max      26.3120
_cell_measurement_theta_min      1.9330
_cell_volume                     1035.10(16)
_computing_cell_refinement       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_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      239.95(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1593
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     25.00  54.00   1.00    5.00    --  -15.44  33.00 113.00   29
  2  ω    -52.00  38.00   1.00    5.00    --   17.94 -33.00 -45.00   90
  3  ω     12.00  88.00   1.00    5.00    --   17.94  33.00 113.00   76
  4  ω    -27.00   4.00   1.00    5.00    --  -15.44 -77.00-180.00   31
  5  ω    -88.00 -39.00   1.00    5.00    --  -15.44-178.00 120.00   49
  6  ω    -39.00   0.00   1.00    5.00    --  -15.44 -77.00 -90.00   39
  7  ω    -82.00 -56.00   1.00    5.00    --  -15.44 178.00-180.00   26
  8  ω    -33.00   1.00   1.00    5.00    --  -15.44 -77.00 120.00   34
  9  ω    -19.00  31.00   1.00    5.00    --   17.94 -99.00 120.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0465047000
_diffrn_orient_matrix_UB_12      0.0512164000
_diffrn_orient_matrix_UB_13      0.0236800000
_diffrn_orient_matrix_UB_21      0.0535148000
_diffrn_orient_matrix_UB_22      0.0589115000
_diffrn_orient_matrix_UB_23      0.0153845000
_diffrn_orient_matrix_UB_31      -0.0229893000
_diffrn_orient_matrix_UB_32      -0.0024074000
_diffrn_orient_matrix_UB_33      -0.0612295000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0604
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9117
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.936
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.061
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.104a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_description       prism
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         4166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0453
_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)+(0.0474P)²+0.0140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
_refine_ls_wR_factor_ref         0.1076
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2951
_reflns_number_total             4166
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj05257a2.cif
_cod_data_source_block           shi_4953_elba_auto
_cod_depositor_comments
'Adding full bibliography for 7062215--7062217.cif.'
_cod_original_cell_volume        1035.10(15)
_cod_database_code               7062216
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C20H20N2Si1O2Br1
_chemical_oxdiff_usercomment     AZD_35_FR5-7
_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   0.820
_shelx_estimated_absorpt_t_min   0.683
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C17(H17), C19(H19), C20(H20)
2.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C)
;
_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 1.305
_oxdiff_exptl_absorpt_empirical_full_min 0.836
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
Br1 Br 0.07814(4) 0.79023(5) 1.09088(3) 0.06763(19) Uani 1 1 d . . . . .
Si1 Si 0.27571(9) 0.51382(9) 0.29629(7) 0.0332(2) Uani 1 1 d . . . . .
O1 O 0.4716(2) 1.1030(2) 0.82022(18) 0.0430(6) Uani 1 1 d . . . . .
O2 O 0.1815(2) 0.5530(2) 0.5672(2) 0.0468(6) Uani 1 1 d . . . . .
N1 N 0.5182(2) 0.8851(2) 0.58763(19) 0.0261(5) Uani 1 1 d . . . . .
N2 N 0.8988(3) 0.8390(4) 0.3088(3) 0.0608(9) Uani 1 1 d . . . . .
C1 C 0.3360(3) 0.9271(4) 0.8533(2) 0.0335(7) Uani 1 1 d . . . . .
C2 C 0.2630(3) 1.0266(4) 0.9324(3) 0.0456(9) Uani 1 1 d . . . . .
H2 H 0.264457 1.122252 0.937279 0.055 Uiso 1 1 calc R U . . .
C3 C 0.1879(3) 0.9849(4) 1.0040(3) 0.0531(10) Uani 1 1 d . . . . .
H3 H 0.138002 1.051608 1.057193 0.064 Uiso 1 1 calc R U . . .
C4 C 0.1873(3) 0.8457(4) 0.9965(3) 0.0448(9) Uani 1 1 d . . . . .
C5 C 0.2634(3) 0.7471(4) 0.9233(3) 0.0462(9) Uani 1 1 d . . . . .
H5 H 0.265412 0.653439 0.922186 0.055 Uiso 1 1 calc R U . . .
C6 C 0.3373(3) 0.7891(4) 0.8509(3) 0.0394(8) Uani 1 1 d . . . . .
H6 H 0.388852 0.722509 0.799624 0.047 Uiso 1 1 calc R U . . .
C7 C 0.4127(3) 0.9769(3) 0.7761(2) 0.0319(7) Uani 1 1 d . . . . .
C8 C 0.4133(3) 0.8699(3) 0.6474(2) 0.0267(6) Uani 1 1 d . . . . .
C9 C 0.3204(3) 0.7434(3) 0.5596(2) 0.0259(6) Uani 1 1 d . . . . .
C10 C 0.1895(3) 0.6779(3) 0.5784(2) 0.0314(7) Uani 1 1 d . . . . .
C11 C 0.0707(3) 0.7655(4) 0.6019(3) 0.0444(8) Uani 1 1 d . . . . .
H11A H -0.001837 0.712975 0.620081 0.067 Uiso 1 1 calc R U . . .
H11B H 0.032159 0.779985 0.527054 0.067 Uiso 1 1 calc R U . . .
H11C H 0.104493 0.860358 0.673812 0.067 Uiso 1 1 calc R U . . .
C12 C 0.3664(3) 0.6807(3) 0.4451(2) 0.0261(6) Uani 1 1 d . . . . .
C13 C 0.0840(3) 0.5201(4) 0.2650(3) 0.0479(9) Uani 1 1 d . . . . .
H13A H 0.046152 0.511208 0.332103 0.072 Uiso 1 1 calc R U . . .
H13B H 0.038680 0.439459 0.184008 0.072 Uiso 1 1 calc R U . . .
H13C H 0.066750 0.612926 0.262533 0.072 Uiso 1 1 calc R U . . .
C14 C 0.3158(4) 0.3463(3) 0.3180(3) 0.0555(10) Uani 1 1 d . . . . .
H14A H 0.416826 0.349679 0.340550 0.083 Uiso 1 1 calc R U . . .
H14B H 0.276771 0.259441 0.239459 0.083 Uiso 1 1 calc R U . . .
H14C H 0.274749 0.342490 0.385316 0.083 Uiso 1 1 calc R U . . .
C15 C 0.3388(4) 0.5095(4) 0.1553(3) 0.0530(10) Uani 1 1 d . . . . .
H15A H 0.344932 0.607176 0.158004 0.080 Uiso 1 1 calc R U . . .
H15B H 0.273468 0.441268 0.078004 0.080 Uiso 1 1 calc R U . . .
H15C H 0.430864 0.477745 0.156864 0.080 Uiso 1 1 calc R U . . .
C16 C 0.4908(3) 0.7688(3) 0.4653(2) 0.0262(6) Uani 1 1 d . . . . .
C17 C 0.5925(3) 0.7601(3) 0.3924(3) 0.0323(7) Uani 1 1 d . . . . .
H17 H 0.577159 0.685277 0.309219 0.039 Uiso 1 1 calc R U . . .
C18 C 0.7123(3) 0.8587(3) 0.4415(3) 0.0332(7) Uani 1 1 d . . . . .
C19 C 0.7365(3) 0.9739(3) 0.5665(3) 0.0351(7) Uani 1 1 d . . . . .
H19 H 0.819496 1.041602 0.600204 0.042 Uiso 1 1 calc R U . . .
C20 C 0.6399(3) 0.9853(3) 0.6363(3) 0.0334(7) Uani 1 1 d . . . . .
H20 H 0.655243 1.061916 0.718696 0.040 Uiso 1 1 calc R U . . .
C21 C 0.8150(3) 0.8462(4) 0.3664(3) 0.0420(8) 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 0.0033 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'
Br Br -0.2901 2.4595 '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'
Si Si 0.0817 0.0704 '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
C13 Si1 C12 109.65(13) . . ?
C13 Si1 C14 111.30(16) . . ?
C13 Si1 C15 107.50(15) . . ?
C14 Si1 C12 108.48(14) . . ?
C14 Si1 C15 108.95(16) . . ?
C15 Si1 C12 110.97(14) . . ?
C8 N1 C16 108.7(2) . . ?
C20 N1 C8 129.2(2) . . ?
C20 N1 C16 121.9(2) . . ?
C2 C1 C7 117.8(3) . . ?
C6 C1 C2 119.3(3) . . ?
C6 C1 C7 122.9(3) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.1(3) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.3(3) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 Br1 118.1(2) . . ?
C3 C4 C5 121.8(3) . . ?
C5 C4 Br1 120.1(3) . . ?
C4 C5 H5 120.7 . . ?
C4 C5 C6 118.6(3) . . ?
C6 C5 H5 120.7 . . ?
C1 C6 C5 120.9(3) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
O1 C7 C1 120.4(3) . . ?
O1 C7 C8 121.8(3) . . ?
C8 C7 C1 117.8(3) . . ?
N1 C8 C7 121.2(2) . . ?
N1 C8 C9 106.3(2) . . ?
C9 C8 C7 132.5(2) . . ?
C8 C9 C10 127.4(2) . . ?
C8 C9 C12 110.2(2) . . ?
C12 C9 C10 122.4(2) . . ?
O2 C10 C9 118.5(3) . . ?
O2 C10 C11 122.2(3) . . ?
C11 C10 C9 119.2(3) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 Si1 126.8(2) . . ?
C16 C12 Si1 127.77(18) . . ?
C16 C12 C9 105.5(2) . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N1 C16 C17 116.9(2) . . ?
C12 C16 N1 109.4(2) . . ?
C12 C16 C17 133.7(2) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.8(3) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C19 120.4(2) . . ?
C17 C18 C21 119.7(3) . . ?
C19 C18 C21 119.8(3) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 C18 119.6(3) . . ?
C20 C19 H19 120.2 . . ?
N1 C20 H20 119.8 . . ?
C19 C20 N1 120.4(3) . . ?
C19 C20 H20 119.8 . . ?
N2 C21 C18 178.4(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
Br1 C4 1.897(3) . ?
Si1 C12 1.883(3) . ?
Si1 C13 1.853(3) . ?
Si1 C14 1.859(3) . ?
Si1 C15 1.870(3) . ?
O1 C7 1.218(3) . ?
O2 C10 1.206(3) . ?
N1 C8 1.385(3) . ?
N1 C16 1.403(3) . ?
N1 C20 1.383(3) . ?
N2 C21 1.146(4) . ?
C1 C2 1.391(4) . ?
C1 C6 1.379(4) . ?
C1 C7 1.499(4) . ?
C2 H2 0.9400 . ?
C2 C3 1.390(4) . ?
C3 H3 0.9400 . ?
C3 C4 1.367(5) . ?
C4 C5 1.376(5) . ?
C5 H5 0.9400 . ?
C5 C6 1.390(4) . ?
C6 H6 0.9400 . ?
C7 C8 1.461(4) . ?
C8 C9 1.404(4) . ?
C9 C10 1.504(4) . ?
C9 C12 1.410(3) . ?
C10 C11 1.492(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 C16 1.390(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 C17 1.416(3) . ?
C17 H17 0.9400 . ?
C17 C18 1.360(4) . ?
C18 C19 1.422(4) . ?
C18 C21 1.437(4) . ?
C19 H19 0.9400 . ?
C19 C20 1.345(4) . ?
C20 H20 0.9400 . ?
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
Br1 C4 C5 C6 177.2(2) . . . . ?
Si1 C12 C16 N1 177.62(19) . . . . ?
Si1 C12 C16 C17 -5.8(5) . . . . ?
O1 C7 C8 N1 24.2(4) . . . . ?
O1 C7 C8 C9 -153.8(3) . . . . ?
N1 C8 C9 C10 179.4(3) . . . . ?
N1 C8 C9 C12 -0.6(3) . . . . ?
N1 C16 C17 C18 1.5(4) . . . . ?
C1 C2 C3 C4 0.4(5) . . . . ?
C1 C7 C8 N1 -156.1(3) . . . . ?
C1 C7 C8 C9 25.8(5) . . . . ?
C2 C1 C6 C5 1.9(4) . . . . ?
C2 C1 C7 O1 37.0(4) . . . . ?
C2 C1 C7 C8 -142.6(3) . . . . ?
C2 C3 C4 Br1 -177.7(2) . . . . ?
C2 C3 C4 C5 2.4(5) . . . . ?
C3 C4 C5 C6 -3.0(5) . . . . ?
C4 C5 C6 C1 0.8(5) . . . . ?
C6 C1 C2 C3 -2.5(5) . . . . ?
C6 C1 C7 O1 -141.7(3) . . . . ?
C6 C1 C7 C8 38.7(4) . . . . ?
C7 C1 C2 C3 178.8(3) . . . . ?
C7 C1 C6 C5 -179.4(3) . . . . ?
C7 C8 C9 C10 -2.3(5) . . . . ?
C7 C8 C9 C12 177.7(3) . . . . ?
C8 N1 C16 C12 1.5(3) . . . . ?
C8 N1 C16 C17 -175.8(3) . . . . ?
C8 N1 C20 C19 173.5(3) . . . . ?
C8 C9 C10 O2 -121.1(3) . . . . ?
C8 C9 C10 C11 62.8(4) . . . . ?
C8 C9 C12 Si1 -177.9(2) . . . . ?
C8 C9 C12 C16 1.5(3) . . . . ?
C9 C12 C16 N1 -1.8(3) . . . . ?
C9 C12 C16 C17 174.8(3) . . . . ?
C10 C9 C12 Si1 2.1(4) . . . . ?
C10 C9 C12 C16 -178.5(3) . . . . ?
C12 C9 C10 O2 58.9(4) . . . . ?
C12 C9 C10 C11 -117.2(3) . . . . ?
C12 C16 C17 C18 -174.9(3) . . . . ?
C13 Si1 C12 C9 42.1(3) . . . . ?
C13 Si1 C12 C16 -137.2(3) . . . . ?
C14 Si1 C12 C9 -79.7(3) . . . . ?
C14 Si1 C12 C16 101.1(3) . . . . ?
C15 Si1 C12 C9 160.7(3) . . . . ?
C15 Si1 C12 C16 -18.6(3) . . . . ?
C16 N1 C8 C7 -179.0(3) . . . . ?
C16 N1 C8 C9 -0.5(3) . . . . ?
C16 N1 C20 C19 0.1(4) . . . . ?
C16 C17 C18 C19 -0.9(5) . . . . ?
C16 C17 C18 C21 179.1(3) . . . . ?
C17 C18 C19 C20 -0.2(5) . . . . ?
C18 C19 C20 N1 0.6(5) . . . . ?
C20 N1 C8 C7 6.9(5) . . . . ?
C20 N1 C8 C9 -174.6(3) . . . . ?
C20 N1 C16 C12 176.1(2) . . . . ?
C20 N1 C16 C17 -1.2(4) . . . . ?
C21 C18 C19 C20 179.8(3) . . . . ?
