#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:00:11 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178615 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/26/4072677.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_4072677
loop_
_publ_author_name
'Mandal, Debaprasad'
'Gupta, B. D.'
_publ_section_title
;
 Hindered Rotation Leading to Nonequivalence in 2-Substituted Benzyl
 Cobaloximes:  Structure−Property Relationship†
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              658
_journal_paper_doi               10.1021/om060940d
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C24 H28 Co N5 O4'
_chemical_formula_sum            'C24 H28 Co N5 O4'
_chemical_formula_weight         509.44
_chemical_name_common            2-napthyl-Co(dmgH)2Py
_chemical_name_systematic
;
 2-Napthyl-bis(dimethylglyoximeto)(pyridine)cobalt(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.607(2)
_cell_angle_beta                 100.011(2)
_cell_angle_gamma                109.289(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0739(14)
_cell_length_b                   11.3738(16)
_cell_length_c                   12.1513(17)
_cell_measurement_reflns_used    600
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      +28.0
_cell_measurement_theta_min      -28.0
_cell_volume                     1161.8(3)
_computing_cell_refinement       'Bruker SMART v5.628'
_computing_data_collection       'Bruker SMART v5.628'
_computing_data_reduction        'Bruker SAINT+ v6.45'
_computing_molecular_graphics    Diamond
_computing_publication_material  'WinGX v1.64.05'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR 97'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       φ/ω
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7699
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_T_max  0.8349
_exptl_absorpt_correction_T_min  0.7559
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.021
_refine_diff_density_min         -1.314
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       n/a
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         5512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0897
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0921P)²+7.1548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2085
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                4235
_reflns_number_total             5512
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060940dsi20061012_013251.cif
_cod_data_source_block           9a
_cod_database_code               4072677
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.65280(7) 0.36704(7) 0.25032(6) 0.01102(19) Uani 1 1 d .
O1 O 0.6515(4) 0.1052(4) 0.1126(3) 0.0244(8) Uani 1 1 d .
H1O H 0.6597 0.1631 0.0416 0.037 Uiso 1 1 d .
O2 O 0.6506(4) 0.4802(4) 0.4988(3) 0.0182(7) Uani 1 1 d .
O3 O 0.6630(4) 0.6309(4) 0.3928(3) 0.0204(8) Uani 1 1 d .
H3O H 0.6578 0.5890 0.4449 0.031 Uiso 1 1 d .
O4 O 0.6747(5) 0.2596(4) 0.0086(3) 0.0248(8) Uani 1 1 d .
N1 N 0.6423(5) 0.1901(4) 0.2193(4) 0.0167(8) Uani 1 1 d .
N2 N 0.6415(4) 0.3688(4) 0.4037(4) 0.0151(8) Uani 1 1 d .
N3 N 0.6663(4) 0.5456(4) 0.2849(4) 0.0151(8) Uani 1 1 d .
N4 N 0.6708(5) 0.3665(4) 0.0991(4) 0.0174(9) Uani 1 1 d .
N5 N 0.4259(4) 0.2895(4) 0.1804(4) 0.0158(8) Uani 1 1 d .
C1 C 0.6031(7) 0.0063(6) 0.2876(6) 0.0298(13) Uani 1 1 d .
H1A H 0.5030 -0.0624 0.2308 0.045 Uiso 1 1 calc R
H1B H 0.6174 0.0039 0.3684 0.045 Uiso 1 1 calc R
H1C H 0.6774 -0.0152 0.2526 0.045 Uiso 1 1 calc R
C2 C 0.6202(6) 0.1469(5) 0.3038(5) 0.0185(10) Uani 1 1 d .
C3 C 0.6211(5) 0.2555(5) 0.4150(5) 0.0172(10) Uani 1 1 d .
C4 C 0.6009(6) 0.2395(6) 0.5286(5) 0.0232(11) Uani 1 1 d .
H4A H 0.6956 0.2954 0.5973 0.035 Uiso 1 1 calc R
H4B H 0.5679 0.1417 0.5116 0.035 Uiso 1 1 calc R
H4C H 0.5257 0.2710 0.5515 0.035 Uiso 1 1 calc R
C5 C 0.6900(6) 0.7222(6) 0.2081(6) 0.0263(12) Uani 1 1 d .
H5A H 0.6621 0.7666 0.2796 0.039 Uiso 1 1 calc R
H5B H 0.6234 0.7106 0.1321 0.039 Uiso 1 1 calc R
H5C H 0.7929 0.7804 0.2201 0.039 Uiso 1 1 calc R
C6 C 0.6771(5) 0.5828(5) 0.1965(5) 0.0171(10) Uani 1 1 d .
C7 C 0.6804(5) 0.4781(5) 0.0864(5) 0.0173(10) Uani 1 1 d .
C8 C 0.6983(7) 0.5000(6) -0.0248(5) 0.0282(12) Uani 1 1 d .
H8A H 0.6788 0.4117 -0.0930 0.042 Uiso 1 1 calc R
H8B H 0.8002 0.5674 -0.0043 0.042 Uiso 1 1 calc R
H8C H 0.6278 0.5352 -0.0503 0.042 Uiso 1 1 calc R
C9 C 0.3521(5) 0.3500(5) 0.2449(5) 0.0164(10) Uani 1 1 d .
H9 H 0.4070 0.4259 0.3249 0.020 Uiso 1 1 calc R
C10 C 0.1995(6) 0.3067(6) 0.2003(5) 0.0215(11) Uani 1 1 d .
H10 H 0.1505 0.3508 0.2492 0.026 Uiso 1 1 calc R
C11 C 0.1202(6) 0.1977(6) 0.0828(6) 0.0284(13) Uani 1 1 d .
H11 H 0.0159 0.1671 0.0487 0.034 Uiso 1 1 calc R
C12 C 0.1946(6) 0.1341(6) 0.0158(5) 0.0255(12) Uani 1 1 d .
H12 H 0.1419 0.0586 -0.0646 0.031 Uiso 1 1 calc R
C13 C 0.3473(6) 0.1815(5) 0.0671(4) 0.0177(10) Uani 1 1 d .
H13 H 0.3978 0.1366 0.0211 0.021 Uiso 1 1 calc R
C14 C 0.8800(6) 0.4372(5) 0.3164(5) 0.0205(10) Uani 1 1 d .
H14A H 0.9075 0.4380 0.3990 0.025 Uiso 1 1 calc R
H14B H 0.9089 0.3706 0.2599 0.025 Uiso 1 1 calc R
C15 C 0.9674(6) 0.5777(7) 0.3288(7) 0.0344(15) Uani 1 1 d .
C16 C 0.9910(8) 0.6936(8) 0.4498(8) 0.050(2) Uani 1 1 d .
H16 H 0.9571 0.6710 0.5111 0.060 Uiso 1 1 calc R
C17 C 1.0590(8) 0.8297(9) 0.4747(7) 0.0479(19) Uani 1 1 d .
H17 H 1.0753 0.9016 0.5525 0.057 Uiso 1 1 calc R
C18 C 1.1038(7) 0.8596(10) 0.3816(7) 0.0498(11) Uani 1 1 d .
C19 C 1.0936(7) 0.7593(7) 0.2647(7) 0.0390(17) Uani 1 1 d .
C20 C 1.0163(7) 0.6067(11) 0.2436(9) 0.0634(14) Uani 1 1 d .
H20 H 1.0040 0.5334 0.1684 0.076 Uiso 1 1 calc R
C21 C 1.1786(7) 1.0134(8) 0.4031(6) 0.0455(19) Uani 1 1 d .
H21 H 1.1918 1.0898 0.4764 0.055 Uiso 1 1 calc R
C22 C 1.2240(7) 1.0282(6) 0.3056(7) 0.0343(15) Uani 1 1 d .
H22 H 1.2702 1.1183 0.3104 0.041 Uiso 1 1 calc R
C23 C 1.2033(8) 0.9167(9) 0.2045(7) 0.049(2) Uani 1 1 d .
H23 H 1.2397 0.9341 0.1421 0.059 Uiso 1 1 calc R
C24 C 1.1410(8) 0.7918(10) 0.1836(8) 0.054(2) Uani 1 1 d .
H24 H 1.1289 0.7207 0.1069 0.065 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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_publ_flag
N1 Co1 N3 178.71(19) ?
N1 Co1 N4 98.50(19) ?
N3 Co1 N4 82.41(19) ?
N1 Co1 N2 81.12(18) ?
N3 Co1 N2 97.94(18) ?
N4 Co1 N2 178.11(18) ?
N1 Co1 N5 91.47(17) ?
N3 Co1 N5 89.42(17) ?
N4 Co1 N5 91.10(17) ?
N2 Co1 N5 90.77(17) ?
N1 Co1 C14 86.5(2) ?
N3 Co1 C14 92.66(19) ?
N4 Co1 C14 88.3(2) ?
N2 Co1 C14 89.8(2) ?
N5 Co1 C14 177.7(2) yes
N1 O1 H1O 108.4 ?
N3 O3 H3O 109.0 ?
N4 O4 H1O 109.1 ?
C2 N1 O1 119.6(4) ?
C2 N1 Co1 117.4(3) ?
O1 N1 Co1 123.0(3) ?
C3 N2 O2 119.8(4) ?
C3 N2 Co1 117.3(3) ?
O2 N2 Co1 122.8(3) ?
C6 N3 O3 120.8(4) ?
C6 N3 Co1 115.8(3) ?
O3 N3 Co1 123.4(3) ?
C7 N4 O4 121.1(4) ?
C7 N4 Co1 116.0(3) ?
O4 N4 Co1 122.9(3) ?
C9 N5 C13 118.2(4) ?
C9 N5 Co1 120.1(3) ?
C13 N5 Co1 121.6(4) ?
C2 C1 H1A 109.5 ?
C2 C1 H1B 109.5 ?
H1A C1 H1B 109.5 ?
C2 C1 H1C 109.5 ?
H1A C1 H1C 109.5 ?
H1B C1 H1C 109.5 ?
N1 C2 C3 111.7(4) ?
N1 C2 C1 122.5(5) ?
C3 C2 C1 125.8(5) ?
N2 C3 C2 112.1(4) ?
N2 C3 C4 123.0(5) ?
C2 C3 C4 124.9(5) ?
C3 C4 H4A 109.5 ?
C3 C4 H4B 109.5 ?
H4A C4 H4B 109.5 ?
C3 C4 H4C 109.5 ?
H4A C4 H4C 109.5 ?
H4B C4 H4C 109.5 ?
C6 C5 H5A 109.5 ?
C6 C5 H5B 109.5 ?
H5A C5 H5B 109.5 ?
C6 C5 H5C 109.5 ?
H5A C5 H5C 109.5 ?
H5B C5 H5C 109.5 ?
N3 C6 C7 113.6(4) ?
N3 C6 C5 123.1(5) ?
C7 C6 C5 123.3(5) ?
N4 C7 C6 112.2(4) ?
N4 C7 C8 124.6(5) ?
C6 C7 C8 123.2(5) ?
C7 C8 H8A 109.5 ?
C7 C8 H8B 109.5 ?
H8A C8 H8B 109.5 ?
C7 C8 H8C 109.5 ?
H8A C8 H8C 109.5 ?
H8B C8 H8C 109.5 ?
N5 C9 C10 123.0(5) ?
N5 C9 H9 118.5 ?
C10 C9 H9 118.5 ?
C11 C10 C9 118.3(5) ?
C11 C10 H10 120.8 ?
C9 C10 H10 120.8 ?
C12 C11 C10 119.2(5) ?
C12 C11 H11 120.4 ?
C10 C11 H11 120.4 ?
C11 C12 C13 119.4(5) ?
C11 C12 H12 120.3 ?
C13 C12 H12 120.3 ?
N5 C13 C12 121.9(5) ?
N5 C13 H13 119.1 ?
C12 C13 H13 119.1 ?
C15 C14 Co1 115.1(4) yes
C15 C14 H14A 108.5 ?
Co1 C14 H14A 108.5 ?
C15 C14 H14B 108.5 ?
Co1 C14 H14B 108.5 ?
H14A C14 H14B 107.5 ?
C20 C15 C14 126.4(8) ?
C20 C15 C16 119.8(7) ?
C14 C15 C16 113.7(6) ?
C17 C16 C15 122.5(8) ?
C17 C16 H16 118.8 ?
C15 C16 H16 118.8 ?
C16 C17 C18 117.5(8) ?
C16 C17 H17 121.3 ?
C18 C17 H17 121.3 ?
C17 C18 C19 125.4(8) ?
C17 C18 C21 119.9(8) ?
C19 C18 C21 114.6(6) ?
C24 C19 C18 123.4(7) ?
C24 C19 C20 122.7(8) ?
C18 C19 C20 113.9(7) ?
C15 C20 C19 120.8(9) ?
C15 C20 H20 119.6 ?
C19 C20 H20 119.6 ?
C22 C21 C18 113.8(6) ?
C22 C21 H21 123.1 ?
C18 C21 H21 123.1 ?
C23 C22 C21 120.7(7) ?
C23 C22 H22 119.7 ?
C21 C22 H22 119.7 ?
C24 C23 C22 126.9(9) ?
C24 C23 H23 116.5 ?
C22 C23 H23 116.5 ?
C23 C24 C19 120.7(9) ?
C23 C24 H24 119.7 ?
C19 C24 H24 119.7 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 N1 1.875(4) ?
Co1 N3 1.875(4) ?
Co1 N4 1.876(4) ?
Co1 N2 1.881(4) ?
Co1 N5 2.047(4) yes
Co1 C14 2.055(5) yes
O1 N1 1.357(5) ?
O1 H1O 1.2547 ?
O2 N2 1.343(5) ?
O3 N3 1.343(5) ?
O3 H3O 0.9153 ?
O4 N4 1.340(5) ?
O4 H1O 1.2683 ?
N1 C2 1.307(7) ?
N2 C3 1.297(6) ?
N3 C6 1.294(6) ?
N4 C7 1.306(6) ?
N5 C9 1.342(6) ?
N5 C13 1.349(6) ?
C1 C2 1.486(7) ?
C1 H1A 0.9800 ?
C1 H1B 0.9800 ?
C1 H1C 0.9800 ?
C2 C3 1.471(7) ?
C3 C4 1.493(7) ?
C4 H4A 0.9800 ?
C4 H4B 0.9800 ?
C4 H4C 0.9800 ?
C5 C6 1.500(7) ?
C5 H5A 0.9800 ?
C5 H5B 0.9800 ?
C5 H5C 0.9800 ?
C6 C7 1.459(7) ?
C7 C8 1.487(7) ?
C8 H8A 0.9800 ?
C8 H8B 0.9800 ?
C8 H8C 0.9800 ?
C9 C10 1.387(7) ?
C9 H9 0.9500 ?
C10 C11 1.385(8) ?
C10 H10 0.9500 ?
C11 C12 1.380(9) ?
C11 H11 0.9500 ?
C12 C13 1.388(7) ?
C12 H12 0.9500 ?
C13 H13 0.9500 ?
C14 C15 1.486(8) ?
C14 H14A 0.9900 ?
C14 H14B 0.9900 ?
C15 C20 1.316(10) ?
C15 C16 1.505(11) ?
C16 C17 1.362(11) ?
C16 H16 0.9500 ?
C17 C18 1.396(10) ?
C17 H17 0.9500 ?
C18 C19 1.436(11) ?
C18 C21 1.559(12) ?
C19 C24 1.279(11) ?
C19 C20 1.552(11) ?
C20 H20 0.9500 ?
C21 C22 1.386(10) ?
C21 H21 0.9500 ?
C22 C23 1.342(10) ?
C22 H22 0.9500 ?
C23 C24 1.257(12) ?
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
N4 Co1 N1 C2 -176.2(4)
N2 Co1 N1 C2 5.7(4)
N5 Co1 N1 C2 -84.9(4)
C14 Co1 N1 C2 96.0(4)
N4 Co1 N1 O1 1.5(4)
N2 Co1 N1 O1 -176.6(4)
N5 Co1 N1 O1 92.8(4)
C14 Co1 N1 O1 -86.3(4)
N1 Co1 N2 C3 -5.1(4)
N3 Co1 N2 C3 175.8(4)
N5 Co1 N2 C3 86.3(4)
C14 Co1 N2 C3 -91.6(4)
N1 Co1 N2 O2 176.3(4)
N3 Co1 N2 O2 -2.8(4)
N5 Co1 N2 O2 -92.3(3)
C14 Co1 N2 O2 89.8(4)
N4 Co1 N3 C6 1.5(4)
N2 Co1 N3 C6 179.6(4)
N5 Co1 N3 C6 -89.7(4)
C14 Co1 N3 C6 89.5(4)
N4 Co1 N3 O3 -179.5(4)
N2 Co1 N3 O3 -1.4(4)
N5 Co1 N3 O3 89.3(4)
C14 Co1 N3 O3 -91.5(4)
N1 Co1 N4 C7 179.6(4)
N3 Co1 N4 C7 -1.3(4)
N5 Co1 N4 C7 88.0(4)
C14 Co1 N4 C7 -94.2(4)
N1 Co1 N4 O4 -0.8(4)
N3 Co1 N4 O4 178.3(4)
N5 Co1 N4 O4 -92.5(4)
C14 Co1 N4 O4 85.4(4)
N1 Co1 N5 C9 130.9(4)
N3 Co1 N5 C9 -48.1(4)
N4 Co1 N5 C9 -130.5(4)
N2 Co1 N5 C9 49.8(4)
N1 Co1 N5 C13 -52.0(4)
N3 Co1 N5 C13 128.9(4)
N4 Co1 N5 C13 46.5(4)
N2 Co1 N5 C13 -133.2(4)
O1 N1 C2 C3 177.1(4)
Co1 N1 C2 C3 -5.1(6)
O1 N1 C2 C1 -0.6(7)
Co1 N1 C2 C1 177.2(4)
O2 N2 C3 C2 -177.6(4)
Co1 N2 C3 C2 3.7(5)
O2 N2 C3 C4 2.5(7)
Co1 N2 C3 C4 -176.2(4)
N1 C2 C3 N2 0.9(6)
C1 C2 C3 N2 178.5(5)
N1 C2 C3 C4 -179.2(5)
C1 C2 C3 C4 -1.6(8)
O3 N3 C6 C7 179.5(4)
Co1 N3 C6 C7 -1.5(5)
O3 N3 C6 C5 1.4(7)
Co1 N3 C6 C5 -179.6(4)
O4 N4 C7 C6 -178.7(4)
Co1 N4 C7 C6 0.8(5)
O4 N4 C7 C8 -0.9(8)
Co1 N4 C7 C8 178.7(4)
N3 C6 C7 N4 0.4(6)
C5 C6 C7 N4 178.5(5)
N3 C6 C7 C8 -177.5(5)
C5 C6 C7 C8 0.6(8)
C13 N5 C9 C10 -0.2(7)
Co1 N5 C9 C10 176.9(4)
N5 C9 C10 C11 -1.2(8)
C9 C10 C11 C12 1.6(8)
C10 C11 C12 C13 -0.6(8)
C9 N5 C13 C12 1.2(7)
Co1 N5 C13 C12 -175.8(4)
C11 C12 C13 N5 -0.8(8)
N1 Co1 C14 C15 163.9(5)
N3 Co1 C14 C15 -17.1(5)
N4 Co1 C14 C15 65.3(5)
N2 Co1 C14 C15 -115.0(5)
Co1 C14 C15 C20 -91.1(7)
Co1 C14 C15 C16 85.2(5)
C20 C15 C16 C17 1.4(10)
C14 C15 C16 C17 -175.1(6)
C15 C16 C17 C18 1.7(10)
C16 C17 C18 C19 -4.6(10)
C16 C17 C18 C21 178.4(6)
C17 C18 C19 C24 -177.4(7)
C21 C18 C19 C24 -0.3(9)
C17 C18 C19 C20 3.9(9)
C21 C18 C19 C20 -178.9(5)
C14 C15 C20 C19 174.2(5)
C16 C15 C20 C19 -1.9(9)
C24 C19 C20 C15 -179.1(7)
C18 C19 C20 C15 -0.5(8)
C17 C18 C21 C22 177.0(6)
C19 C18 C21 C22 -0.3(8)
C18 C21 C22 C23 -0.4(9)
C21 C22 C23 C24 1.9(12)
C22 C23 C24 C19 -2.5(13)
C18 C19 C24 C23 1.6(11)
C20 C19 C24 C23 -179.9(7)
