#------------------------------------------------------------------------------
#$Date: 2018-08-16 02:08:18 +0300 (Thu, 16 Aug 2018) $
#$Revision: 209757 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/36/7103657.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_7103657
loop_
_publ_author_name
'Bhattacharyya, Sibaprasad'
'Clark, Aurora E.'
'Pink, Maren'
'Zaleski, Jeffrey M.'
_publ_section_title
;
 Isolation of electronic from geometric contributions to Bergman
 cyclization of metalloenediynes
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   10
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1156
_journal_page_last               1157
_journal_paper_doi               10.1039/b301690k
_journal_year                    2003
_chemical_formula_moiety         'C24 H24 Cl2 N2 Zn'
_chemical_formula_sum            'C24 H24 Cl2 N2 Zn'
_chemical_formula_weight         476.72
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.317(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.6558(19)
_cell_length_b                   15.9396(15)
_cell_length_c                   7.0274(7)
_cell_measurement_reflns_used    5663
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     2172.7(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'XTEL (local library)'
_computing_publication_material  'XCIF (Bruker, 1999), XTEL (local library)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Alatomare et al., 1993)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
'0.30 degree frames measured for 30 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12277
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_time  909
_diffrn_standards_number         268
_exptl_absorpt_coefficient_mu    1.389
_exptl_absorpt_correction_T_max  0.8852
_exptl_absorpt_correction_T_min  0.7227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing (1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.587
_refine_diff_density_min         -0.246
_refine_diff_density_rms         0.090
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.203(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         4949
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0596P)²+1.7391P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0867
_reflns_number_gt                4848
_reflns_number_total             4949
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b301690k.txt
_cod_data_source_block           02050
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7103657
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.776935(16) 0.193496(15) 1.21742(3) 0.01504(8) Uani 1 1 d . . .
Cl1 Cl 0.75534(4) 0.29724(4) 1.40393(9) 0.02214(14) Uani 1 1 d . . .
Cl2 Cl 0.79276(3) 0.07116(4) 1.37598(8) 0.01837(12) Uani 1 1 d . . .
N1 N 0.70788(11) 0.17489(13) 0.9552(3) 0.0144(4) Uani 1 1 d . . .
N2 N 0.85898(11) 0.20335(13) 1.0580(3) 0.0153(4) Uani 1 1 d . . .
C1 C 0.65803(13) 0.24429(16) 0.8863(4) 0.0207(5) Uani 1 1 d . . .
H1A H 0.6373 0.2327 0.7509 0.024(9) Uiso 1 1 calc R . .
H1B H 0.6204 0.2433 0.9643 0.013(7) Uiso 1 1 calc R . .
C2 C 0.68784(13) 0.32873(17) 0.8963(4) 0.0186(5) Uani 1 1 d . . .
C3 C 0.70684(13) 0.39974(16) 0.9099(4) 0.0187(5) Uani 1 1 d . . .
C4 C 0.73641(15) 0.48205(16) 0.9409(4) 0.0218(5) Uani 1 1 d . . .
H4 H 0.7084 0.5299 0.9057 0.046(12) Uiso 1 1 calc R . .
C5 C 0.80192(15) 0.49232(16) 1.0175(4) 0.0218(5) Uani 1 1 d . . .
H5 H 0.8199 0.5474 1.0404 0.021(8) Uiso 1 1 calc R . .
C6 C 0.84581(13) 0.42189(16) 1.0662(4) 0.0197(5) Uani 1 1 d . . .
C7 C 0.87529(13) 0.35616(16) 1.0989(4) 0.0194(5) Uani 1 1 d . . .
C8 C 0.90815(13) 0.27410(16) 1.1210(4) 0.0210(5) Uani 1 1 d . . .
H8A H 0.9285 0.2658 1.2580 0.017(8) Uiso 1 1 calc R . .
H8B H 0.9461 0.2725 1.0442 0.016(7) Uiso 1 1 calc R . .
C9 C 0.75862(13) 0.16166(18) 0.8182(4) 0.0204(5) Uani 1 1 d . . .
H9A H 0.7349 0.1719 0.6848 0.024 Uiso 1 1 calc R . .
H9B H 0.7739 0.1024 0.8263 0.024 Uiso 1 1 calc R . .
C10 C 0.82155(13) 0.21793(17) 0.8583(4) 0.0166(4) Uani 1 1 d . . .
H10A H 0.8527 0.2060 0.7640 0.020 Uiso 1 1 calc R . .
H10B H 0.8071 0.2774 0.8436 0.020 Uiso 1 1 calc R . .
C11 C 0.66665(13) 0.09513(15) 0.9541(4) 0.0168(5) Uani 1 1 d . . .
H11A H 0.6972 0.0504 1.0172 0.044(12) Uiso 1 1 calc R . .
H11B H 0.6512 0.0780 0.8186 0.013(7) Uiso 1 1 calc R . .
C12 C 0.60429(14) 0.10136(16) 1.0540(4) 0.0186(5) Uani 1 1 d . . .
C13 C 0.53898(15) 0.0867(2) 0.9473(4) 0.0266(6) Uani 1 1 d . . .
H13 H 0.5345 0.0733 0.8141 0.022(8) Uiso 1 1 calc R . .
C14 C 0.48018(16) 0.0916(2) 1.0350(5) 0.0348(7) Uani 1 1 d . . .
H14 H 0.4361 0.0805 0.9614 0.037(11) Uiso 1 1 calc R . .
C15 C 0.48542(16) 0.1122(2) 1.2265(5) 0.0325(7) Uani 1 1 d . . .
H15 H 0.4453 0.1163 1.2851 0.044(12) Uiso 1 1 calc R . .
C16 C 0.55044(16) 0.1271(2) 1.3341(5) 0.0306(7) Uani 1 1 d . . .
H16 H 0.5545 0.1415 1.4667 0.044(12) Uiso 1 1 calc R . .
C17 C 0.60907(15) 0.1211(2) 1.2491(4) 0.0252(6) Uani 1 1 d . . .
H17 H 0.6531 0.1305 1.3244 0.027(10) Uiso 1 1 calc R . .
C18 C 0.89933(13) 0.12218(16) 1.0754(4) 0.0181(5) Uani 1 1 d . . .
H18A H 0.8669 0.0755 1.0358 0.027(9) Uiso 1 1 calc R . .
H18B H 0.9189 0.1135 1.2128 0.039(11) Uiso 1 1 calc R . .
C19 C 0.95744(13) 0.11719(15) 0.9580(4) 0.0175(5) Uani 1 1 d . . .
C20 C 1.02474(15) 0.13690(18) 1.0429(4) 0.0226(6) Uani 1 1 d . . .
H20 H 1.0338 0.1537 1.1742 0.028(9) Uiso 1 1 calc R . .
C21 C 1.07850(15) 0.1322(2) 0.9378(5) 0.0277(6) Uani 1 1 d . . .
H21 H 1.1240 0.1458 0.9974 0.033(10) Uiso 1 1 calc R . .
C22 C 1.06615(16) 0.1077(2) 0.7469(5) 0.0295(6) Uani 1 1 d . . .
H22 H 1.1029 0.1062 0.6741 0.035(10) Uiso 1 1 calc R . .
C23 C 0.99929(16) 0.0851(2) 0.6608(4) 0.0271(6) Uani 1 1 d . . .
H23 H 0.9908 0.0664 0.5308 0.047(12) Uiso 1 1 calc R . .
C24 C 0.94545(14) 0.09039(17) 0.7670(4) 0.0221(5) Uani 1 1 d . . .
H24 H 0.9001 0.0755 0.7085 0.023(8) Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
N2 Zn1 N1 89.18(8) . . ?
N2 Zn1 Cl1 119.92(6) . . ?
N1 Zn1 Cl1 117.72(6) . . ?
N2 Zn1 Cl2 105.76(6) . . ?
N1 Zn1 Cl2 109.10(6) . . ?
Cl1 Zn1 Cl2 112.54(3) . . ?
C1 N1 C11 107.27(19) . . ?
C1 N1 C9 111.2(2) . . ?
C11 N1 C9 106.82(19) . . ?
C1 N1 Zn1 117.86(16) . . ?
C11 N1 Zn1 112.92(15) . . ?
C9 N1 Zn1 100.22(14) . . ?
C10 N2 C8 110.8(2) . . ?
C10 N2 C18 112.4(2) . . ?
C8 N2 C18 108.3(2) . . ?
C10 N2 Zn1 101.99(15) . . ?
C8 N2 Zn1 114.13(16) . . ?
C18 N2 Zn1 109.21(15) . . ?
C2 C1 N1 115.2(2) . . ?
C2 C1 H1A 108.5 . . ?
N1 C1 H1A 108.5 . . ?
C2 C1 H1B 108.5 . . ?
N1 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
C3 C2 C1 174.2(3) . . ?
C2 C3 C4 173.5(3) . . ?
C5 C4 C3 121.2(2) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C7 C6 C5 171.4(3) . . ?
C6 C7 C8 174.8(3) . . ?
C7 C8 N2 112.9(2) . . ?
C7 C8 H8A 109.0 . . ?
N2 C8 H8A 109.0 . . ?
C7 C8 H8B 109.0 . . ?
N2 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
N1 C9 C10 113.7(2) . . ?
N1 C9 H9A 108.8 . . ?
C10 C9 H9A 108.8 . . ?
N1 C9 H9B 108.8 . . ?
C10 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
N2 C10 C9 110.2(2) . . ?
N2 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
N2 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N1 C11 C12 114.7(2) . . ?
N1 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
N1 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C17 C12 C13 118.4(3) . . ?
C17 C12 C11 122.7(2) . . ?
C13 C12 C11 118.9(2) . . ?
C14 C13 C12 120.5(3) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.3(3) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C17 C16 C15 120.5(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C12 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C12 C17 H17 119.6 . . ?
N2 C18 C19 115.6(2) . . ?
N2 C18 H18A 108.4 . . ?
C19 C18 H18A 108.4 . . ?
N2 C18 H18B 108.4 . . ?
C19 C18 H18B 108.4 . . ?
H18A C18 H18B 107.4 . . ?
C24 C19 C20 118.8(2) . . ?
C24 C19 C18 121.1(2) . . ?
C20 C19 C18 120.1(2) . . ?
C21 C20 C19 120.8(3) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.8(3) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 119.6(3) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C19 C24 C23 120.7(2) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
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
Zn1 N2 2.113(2) . ?
Zn1 N1 2.125(2) . ?
Zn1 Cl1 2.1938(7) . ?
Zn1 Cl2 2.2425(6) . ?
N1 C1 1.505(3) . ?
N1 C11 1.507(3) . ?
N1 C9 1.509(3) . ?
N2 C10 1.494(3) . ?
N2 C8 1.505(3) . ?
N2 C18 1.512(3) . ?
C1 C2 1.465(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.191(4) . ?
C3 C4 1.437(4) . ?
C4 C5 1.323(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.423(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.201(4) . ?
C7 C8 1.456(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.517(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.511(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.395(4) . ?
C12 C13 1.397(4) . ?
C13 C14 1.397(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.373(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.396(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.515(3) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C24 1.391(4) . ?
C19 C20 1.396(4) . ?
C20 C21 1.386(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.402(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.393(4) . ?
C23 H23 0.9500 . ?
C24 H24 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
N2 Zn1 N1 C1 -109.48(18) . . . . ?
Cl1 Zn1 N1 C1 14.30(19) . . . . ?
Cl2 Zn1 N1 C1 144.11(16) . . . . ?
N2 Zn1 N1 C11 124.50(16) . . . . ?
Cl1 Zn1 N1 C11 -111.72(15) . . . . ?
Cl2 Zn1 N1 C11 18.08(17) . . . . ?
N2 Zn1 N1 C9 11.20(15) . . . . ?
Cl1 Zn1 N1 C9 134.98(13) . . . . ?
Cl2 Zn1 N1 C9 -95.21(14) . . . . ?
N1 Zn1 N2 C10 16.37(15) . . . . ?
Cl1 Zn1 N2 C10 -105.53(14) . . . . ?
Cl2 Zn1 N2 C10 126.01(13) . . . . ?
N1 Zn1 N2 C8 135.89(17) . . . . ?
Cl1 Zn1 N2 C8 13.99(19) . . . . ?
Cl2 Zn1 N2 C8 -114.47(16) . . . . ?
N1 Zn1 N2 C18 -102.74(16) . . . . ?
Cl1 Zn1 N2 C18 135.36(14) . . . . ?
Cl2 Zn1 N2 C18 6.90(17) . . . . ?
C11 N1 C1 C2 174.0(2) . . . . ?
C9 N1 C1 C2 -69.5(3) . . . . ?
Zn1 N1 C1 C2 45.3(3) . . . . ?
N1 C1 C2 C3 -140(3) . . . . ?
C1 C2 C3 C4 123(3) . . . . ?
C2 C3 C4 C5 16(3) . . . . ?
C3 C4 C5 C6 2.0(4) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
C5 C6 C7 C8 48(4) . . . . ?
C6 C7 C8 N2 -47(3) . . . . ?
C10 N2 C8 C7 52.8(3) . . . . ?
C18 N2 C8 C7 176.5(2) . . . . ?
Zn1 N2 C8 C7 -61.6(3) . . . . ?
C1 N1 C9 C10 86.6(3) . . . . ?
C11 N1 C9 C10 -156.7(2) . . . . ?
Zn1 N1 C9 C10 -38.8(2) . . . . ?
C8 N2 C10 C9 -163.4(2) . . . . ?
C18 N2 C10 C9 75.2(3) . . . . ?
Zn1 N2 C10 C9 -41.6(2) . . . . ?
N1 C9 C10 N2 59.1(3) . . . . ?
C1 N1 C11 C12 -49.9(3) . . . . ?
C9 N1 C11 C12 -169.2(2) . . . . ?
Zn1 N1 C11 C12 81.6(2) . . . . ?
N1 C11 C12 C17 -60.9(3) . . . . ?
N1 C11 C12 C13 119.2(3) . . . . ?
C17 C12 C13 C14 -0.2(4) . . . . ?
C11 C12 C13 C14 179.8(3) . . . . ?
C12 C13 C14 C15 1.1(5) . . . . ?
C13 C14 C15 C16 -0.9(5) . . . . ?
C14 C15 C16 C17 -0.1(5) . . . . ?
C15 C16 C17 C12 1.0(5) . . . . ?
C13 C12 C17 C16 -0.9(4) . . . . ?
C11 C12 C17 C16 179.2(3) . . . . ?
C10 N2 C18 C19 63.8(3) . . . . ?
C8 N2 C18 C19 -59.0(3) . . . . ?
Zn1 N2 C18 C19 176.20(18) . . . . ?
N2 C18 C19 C24 -86.8(3) . . . . ?
N2 C18 C19 C20 95.4(3) . . . . ?
C24 C19 C20 C21 1.8(4) . . . . ?
C18 C19 C20 C21 179.6(3) . . . . ?
C19 C20 C21 C22 -0.1(5) . . . . ?
C20 C21 C22 C23 -1.9(5) . . . . ?
C21 C22 C23 C24 2.2(5) . . . . ?
C20 C19 C24 C23 -1.5(4) . . . . ?
C18 C19 C24 C23 -179.3(3) . . . . ?
C22 C23 C24 C19 -0.5(4) . . . . ?
