#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:35:53 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281535 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/22/7062238.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_7062238
loop_
_publ_author_name
'Oswal, Preeti'
'Arora, Aayushi'
'Purohit, Suraj'
'Bahuguna, Anurag'
'Sharma, Pankaj'
'Roy, Jiben'
'Kumar, Arun'
_publ_section_title
;
 Metal-metalloid bond containing complexes of the bulky organotellurium
 ligand: applications in catalysis of C--O coupling and aldehyde to amide
 transformation reactions
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4346
_journal_page_last               4354
_journal_paper_doi               10.1039/D2NJ04408K
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C23 H19 Cl2.356 N O Pd Te'
_chemical_formula_sum            'C23 H19 Cl2.34 N O Pd Te'
_chemical_formula_weight         642.43
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2022-12-17
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-01-03 deposited with the CCDC.	2023-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.843(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5904(8)
_cell_length_b                   12.0469(6)
_cell_length_c                   15.6608(9)
_cell_measurement_reflns_used    2230
_cell_measurement_temperature    150.0(4)
_cell_measurement_theta_max      27.1630
_cell_measurement_theta_min      2.4880
_cell_volume                     2092.9(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_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    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      150.0(4)
_diffrn_detector_area_resol_mean 15.9974
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.884
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     39.00  93.00   1.00   15.00    --   26.84 178.00-180.00   54
  2  ω     -9.00 102.00   1.00   15.00    --   26.84  57.00   0.00  111
  3  ω     48.00 116.00   1.00   15.00    --   26.84 178.00 -60.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0851
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.884
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7189
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.884
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.155
_diffrn_reflns_theta_min         1.942
_exptl_absorpt_coefficient_mu    2.568
_exptl_absorpt_correction_T_max  0.902
_exptl_absorpt_correction_T_min  0.831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear orangish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.039
_exptl_crystal_description       needle
_exptl_crystal_F_000             1239
_exptl_crystal_recrystallization_method
'Crystals were grown by slow evaporation of solvents from the solution of compound in acetonitrile and ether at room temperature'
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.620
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4530
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0559
_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)+(0.0556P)²+7.3632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1598
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3350
_reflns_number_total             4530
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj04408k2.cif
_cod_data_source_block           atepd_lt_mo
_cod_depositor_comments
'Adding full bibliography for 7062238--7062239.cif.'
_cod_database_code               7062238
_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   0.904
_shelx_estimated_absorpt_t_min   0.715
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 O1-Cl2_$1
 2.3 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C15(H15), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23)
;
_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
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Te1 Te 0.09530(5) 0.26944(5) 0.60553(3) 0.02364(18) Uani 1 1 d . . . . .
Pd1 Pd 0.08701(5) 0.38549(5) 0.47112(4) 0.01983(18) Uani 1 1 d . . . . .
Cl2 Cl 0.05958(17) 0.51284(17) 0.35357(11) 0.0219(4) Uani 1 1 d . . . . .
O1 O -0.0865(7) 0.3805(8) 0.5303(5) 0.074(3) Uani 1 1 d D . . . .
N1 N 0.2400(6) 0.4653(6) 0.5462(4) 0.0188(14) Uani 1 1 d . . . . .
C1 C 0.3952(8) 0.2533(9) 0.2843(6) 0.036(2) Uani 1 1 d . . . . .
H1 H 0.411822 0.244047 0.228824 0.043 Uiso 1 1 calc R U . . .
C2 C 0.3804(8) 0.1643(10) 0.3311(7) 0.043(3) Uani 1 1 d . . . . .
H2 H 0.384596 0.092352 0.307247 0.052 Uiso 1 1 calc R U . . .
C3 C 0.3590(8) 0.1742(9) 0.4141(6) 0.037(2) Uani 1 1 d . . . . .
H3 H 0.352095 0.109615 0.447104 0.044 Uiso 1 1 calc R U . . .
C4 C 0.3478(8) 0.2781(8) 0.4482(6) 0.0290(19) Uani 1 1 d . . . . .
H4 H 0.332816 0.284405 0.504563 0.035 Uiso 1 1 calc R U . . .
C5 C 0.3583(7) 0.3744(8) 0.4008(5) 0.0246(18) Uani 1 1 d . . . . .
C6 C 0.3859(8) 0.3629(9) 0.3178(5) 0.033(2) Uani 1 1 d . . . . .
C7 C 0.3685(7) 0.5783(8) 0.3879(5) 0.0253(18) Uani 1 1 d . . . . .
C8 C 0.3573(8) 0.6873(8) 0.4164(6) 0.031(2) Uani 1 1 d . . . . .
H8 H 0.332129 0.698075 0.468352 0.038 Uiso 1 1 calc R U . . .
C9 C 0.3813(9) 0.7792(9) 0.3721(6) 0.041(2) Uani 1 1 d . . . . .
H9 H 0.377538 0.851532 0.395300 0.049 Uiso 1 1 calc R U . . .
C10 C 0.4117(8) 0.7648(9) 0.2917(6) 0.040(3) Uani 1 1 d . . . . .
H10 H 0.426082 0.827828 0.259721 0.047 Uiso 1 1 calc R U . . .
C11 C 0.4205(8) 0.6605(10) 0.2596(6) 0.041(3) Uani 1 1 d . . . . .
H11 H 0.442852 0.652381 0.206167 0.050 Uiso 1 1 calc R U . . .
C12 C 0.3971(7) 0.5637(8) 0.3040(5) 0.031(2) Uani 1 1 d . . . . .
C13 C 0.4035(7) 0.4568(8) 0.2731(5) 0.030(2) Uani 1 1 d . . . . .
H13 H 0.420931 0.447749 0.217839 0.036 Uiso 1 1 calc R U . . .
C14 C 0.3476(7) 0.4856(7) 0.4320(5) 0.0194(16) Uani 1 1 d . . . . .
C15 C 0.3283(7) 0.4995(6) 0.5215(4) 0.0174(16) Uani 1 1 d . . . . .
H15 H 0.389228 0.538469 0.564801 0.021 Uiso 1 1 calc R U . . .
C16 C 0.2469(7) 0.4761(7) 0.6418(5) 0.0231(17) Uani 1 1 d . . . . .
H16A H 0.176457 0.518515 0.647664 0.028 Uiso 1 1 calc R U . . .
H16B H 0.320777 0.517476 0.673382 0.028 Uiso 1 1 calc R U . . .
C17 C 0.2490(7) 0.3602(7) 0.6845(5) 0.0239(18) Uani 1 1 d . . . . .
H17A H 0.245132 0.367541 0.746598 0.029 Uiso 1 1 calc R U . . .
H17B H 0.324308 0.320663 0.685610 0.029 Uiso 1 1 calc R U . . .
C18 C 0.1889(7) 0.1241(7) 0.5863(5) 0.0213(17) Uani 1 1 d . . . . .
C19 C 0.2950(8) 0.0893(7) 0.6513(5) 0.0268(19) Uani 1 1 d . . . . .
H19 H 0.329775 0.133643 0.702438 0.032 Uiso 1 1 calc R U . . .
C20 C 0.3467(7) -0.0088(7) 0.6392(5) 0.0271(19) Uani 1 1 d . . . . .
H20 H 0.417707 -0.032189 0.683153 0.033 Uiso 1 1 calc R U . . .
C21 C 0.2998(9) -0.0762(8) 0.5650(6) 0.036(2) Uani 1 1 d . . . . .
H21 H 0.338849 -0.142988 0.556834 0.043 Uiso 1 1 calc R U . . .
C22 C 0.1911(9) -0.0412(8) 0.5022(6) 0.040(2) Uani 1 1 d . . . . .
H22 H 0.154154 -0.087108 0.452465 0.048 Uiso 1 1 calc R U . . .
C23 C 0.1386(8) 0.0588(7) 0.5124(6) 0.030(2) Uani 1 1 d . . . . .
H23 H 0.067851 0.082844 0.468453 0.036 Uiso 1 1 calc R U . . .
Cl1A Cl -0.0779(16) 0.2805(10) 0.3950(9) 0.028(2) Uani 0.99(12) 1 d . . . A 1
Cl1B Cl -0.096(3) 0.269(3) 0.405(2) 0.041(7) Uani 0.37(12) 1 d . . . 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'
Cl Cl 0.1484 0.1585 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 '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
O1 Te1 Pd1 58.71(18) . . ?
C17 Te1 Pd1 91.3(2) . . ?
C17 Te1 O1 116.5(3) . . ?
C18 Te1 Pd1 103.8(2) . . ?
C18 Te1 O1 140.6(3) . . ?
C18 Te1 C17 97.4(3) . . ?
Cl2 Pd1 Te1 170.96(6) . . ?
Cl2 Pd1 O1 112.0(2) . . ?
Cl2 Pd1 Cl1B 97.6(9) . . ?
O1 Pd1 Te1 60.2(2) . . ?
O1 Pd1 Cl1B 56.9(8) . . ?
N1 Pd1 Te1 87.93(17) . . ?
N1 Pd1 Cl2 92.36(18) . . ?
N1 Pd1 O1 117.5(3) . . ?
N1 Pd1 Cl1A 174.4(4) . . ?
N1 Pd1 Cl1B 169.9(9) . . ?
Cl1A Pd1 Te1 87.3(5) . . ?
Cl1A Pd1 Cl2 92.8(4) . . ?
Cl1A Pd1 O1 62.3(5) . . ?
Cl1B Pd1 Te1 81.9(9) . . ?
Pd1 O1 Te1 61.04(19) . . ?
C15 N1 Pd1 128.1(5) . . ?
C15 N1 C16 118.0(6) . . ?
C16 N1 Pd1 113.8(5) . . ?
C2 C1 H1 119.9 . . ?
C2 C1 C6 120.2(9) . . ?
C6 C1 H1 119.9 . . ?
C1 C2 H2 119.1 . . ?
C1 C2 C3 121.7(10) . . ?
C3 C2 H2 119.1 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0(10) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.8(8) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 118.5(8) . . ?
C4 C5 C14 123.9(7) . . ?
C6 C5 C14 117.5(8) . . ?
C5 C6 C1 118.7(9) . . ?
C13 C6 C1 122.1(8) . . ?
C13 C6 C5 119.2(9) . . ?
C8 C7 C12 117.8(8) . . ?
C14 C7 C8 123.7(7) . . ?
C14 C7 C12 118.4(8) . . ?
C7 C8 H8 118.6 . . ?
C9 C8 C7 122.7(9) . . ?
C9 C8 H8 118.6 . . ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119.3(10) . . ?
C10 C9 H9 120.4 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.3(9) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 119.1 . . ?
C10 C11 C12 121.9(9) . . ?
C12 C11 H11 119.1 . . ?
C11 C12 C7 117.9(9) . . ?
C13 C12 C7 118.5(8) . . ?
C13 C12 C11 123.6(9) . . ?
C6 C13 C12 123.7(8) . . ?
C6 C13 H13 118.1 . . ?
C12 C13 H13 118.1 . . ?
C5 C14 C15 118.3(7) . . ?
C7 C14 C5 122.6(7) . . ?
C7 C14 C15 118.6(7) . . ?
N1 C15 C14 127.4(7) . . ?
N1 C15 H15 116.3 . . ?
C14 C15 H15 116.3 . . ?
N1 C16 H16A 109.6 . . ?
N1 C16 H16B 109.6 . . ?
N1 C16 C17 110.3(6) . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 H16A 109.6 . . ?
C17 C16 H16B 109.6 . . ?
Te1 C17 H17A 110.2 . . ?
Te1 C17 H17B 110.2 . . ?
C16 C17 Te1 107.7(5) . . ?
C16 C17 H17A 110.2 . . ?
C16 C17 H17B 110.2 . . ?
H17A C17 H17B 108.5 . . ?
C19 C18 Te1 121.0(6) . . ?
C23 C18 Te1 118.6(6) . . ?
C23 C18 C19 120.2(8) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 C18 118.9(8) . . ?
C20 C19 H19 120.6 . . ?
C19 C20 H20 118.6 . . ?
C19 C20 C21 122.7(8) . . ?
C21 C20 H20 118.6 . . ?
C20 C21 H21 121.3 . . ?
C20 C21 C22 117.3(9) . . ?
C22 C21 H21 121.3 . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.8(8) . . ?
C23 C22 H22 119.6 . . ?
C18 C23 H23 120.0 . . ?
C22 C23 C18 120.1(8) . . ?
C22 C23 H23 120.0 . . ?
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
Te1 Pd1 2.5054(8) . ?
Te1 O1 2.486(9) . ?
Te1 C17 2.150(8) . ?
Te1 C18 2.127(8) . ?
Pd1 Cl2 2.3462(19) . ?
Pd1 O1 2.447(8) . ?
Pd1 N1 2.060(7) . ?
Pd1 Cl1A 2.313(14) . ?
Pd1 Cl1B 2.50(4) . ?
N1 C15 1.263(10) . ?
N1 C16 1.482(8) . ?
C1 H1 0.9500 . ?
C1 C2 1.338(15) . ?
C1 C6 1.436(13) . ?
C2 H2 0.9500 . ?
C2 C3 1.398(13) . ?
C3 H3 0.9500 . ?
C3 C4 1.381(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.402(12) . ?
C5 C6 1.432(11) . ?
C5 C14 1.443(11) . ?
C6 C13 1.376(13) . ?
C7 C8 1.405(13) . ?
C7 C12 1.455(11) . ?
C7 C14 1.372(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.377(13) . ?
C9 H9 0.9500 . ?
C9 C10 1.413(13) . ?
C10 H10 0.9500 . ?
C10 C11 1.368(15) . ?
C11 H11 0.9500 . ?
C11 C12 1.423(13) . ?
C12 C13 1.386(13) . ?
C13 H13 0.9500 . ?
C14 C15 1.491(10) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.546(11) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.413(11) . ?
C18 C23 1.381(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.363(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.392(12) . ?
C21 H21 0.9500 . ?
C21 C22 1.419(13) . ?
C22 H22 0.9500 . ?
C22 C23 1.380(13) . ?
C23 H23 0.9500 . ?
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
Te1 C18 C19 C20 175.1(6) . . . . ?
Te1 C18 C23 C22 -174.0(7) . . . . ?
Pd1 N1 C15 C14 -3.5(12) . . . . ?
Pd1 N1 C16 C17 61.3(7) . . . . ?
N1 C16 C17 Te1 -54.0(7) . . . . ?
C1 C2 C3 C4 2.6(14) . . . . ?
C1 C6 C13 C12 -179.0(8) . . . . ?
C2 C1 C6 C5 -1.3(13) . . . . ?
C2 C1 C6 C13 178.3(9) . . . . ?
C2 C3 C4 C5 -0.3(13) . . . . ?
C3 C4 C5 C6 -2.6(12) . . . . ?
C3 C4 C5 C14 179.9(8) . . . . ?
C4 C5 C6 C1 3.4(12) . . . . ?
C4 C5 C6 C13 -176.2(8) . . . . ?
C4 C5 C14 C7 174.2(8) . . . . ?
C4 C5 C14 C15 2.1(11) . . . . ?
C5 C6 C13 C12 0.6(13) . . . . ?
C5 C14 C15 N1 -61.9(11) . . . . ?
C6 C1 C2 C3 -1.7(14) . . . . ?
C6 C5 C14 C7 -3.3(11) . . . . ?
C6 C5 C14 C15 -175.4(7) . . . . ?
C7 C8 C9 C10 3.9(14) . . . . ?
C7 C12 C13 C6 -0.9(13) . . . . ?
C7 C14 C15 N1 125.6(9) . . . . ?
C8 C7 C12 C11 4.5(12) . . . . ?
C8 C7 C12 C13 -177.3(8) . . . . ?
C8 C7 C14 C5 179.2(8) . . . . ?
C8 C7 C14 C15 -8.7(12) . . . . ?
C8 C9 C10 C11 -1.9(14) . . . . ?
C9 C10 C11 C12 1.5(15) . . . . ?
C10 C11 C12 C7 -2.8(13) . . . . ?
C10 C11 C12 C13 179.1(9) . . . . ?
C11 C12 C13 C6 177.1(8) . . . . ?
C12 C7 C8 C9 -5.2(13) . . . . ?
C12 C7 C14 C5 3.0(11) . . . . ?
C12 C7 C14 C15 175.1(7) . . . . ?
C14 C5 C6 C1 -179.0(7) . . . . ?
C14 C5 C6 C13 1.4(11) . . . . ?
C14 C7 C8 C9 178.5(8) . . . . ?
C14 C7 C12 C11 -179.0(8) . . . . ?
C14 C7 C12 C13 -0.8(11) . . . . ?
C15 N1 C16 C17 -115.2(8) . . . . ?
C16 N1 C15 C14 172.4(7) . . . . ?
C18 C19 C20 C21 0.5(13) . . . . ?
C19 C18 C23 C22 0.8(13) . . . . ?
C19 C20 C21 C22 -2.3(14) . . . . ?
C20 C21 C22 C23 3.4(15) . . . . ?
C21 C22 C23 C18 -2.7(14) . . . . ?
C23 C18 C19 C20 0.3(12) . . . . ?
