#------------------------------------------------------------------------------
#$Date: 2021-10-29 02:35:55 +0300 (Fri, 29 Oct 2021) $
#$Revision: 270119 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/86/7708608.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_7708608
loop_
_publ_author_name
'Zheng, Han-Wen'
'Yang, Dong-Dong'
'Liang, Qiong-Fang'
'Zheng, Xiangjun'
_publ_section_title
;
 Multi-stimuli-responsive Zn(II)-Schiff base complexes adjusted by
 rotatable aromatic rings
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02476K
_journal_year                    2021
_chemical_formula_moiety         'C20 H14 N2 O S'
_chemical_formula_sum            'C20 H14 N2 O S'
_chemical_formula_weight         330.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2021-06-02
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-07-26 deposited with the CCDC.	2021-10-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 120.899(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8786(5)
_cell_length_b                   14.3556(6)
_cell_length_c                   11.6830(11)
_cell_measurement_reflns_used    3762
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      72.0490
_cell_measurement_theta_min      4.7070
_cell_volume                     1565.57(19)
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -24.00  17.00   0.50    0.68    --  -46.45  19.00 -30.00   82
  2  ω    -24.00  28.00   0.50    0.68    --  -46.45  19.00   0.00  104
  3  ω    -56.00  25.00   0.50    0.68    --  -46.45  89.00-132.00  162
  4  ω    -66.00 -29.00   0.50    2.74    -- -102.00  61.00  60.00   74
  5  ω    -69.00 -29.00   0.50    2.74    -- -102.00  61.00  90.00   80
  6  ω    -68.00 -29.00   0.50    2.74    -- -102.00  61.00  30.00   78
  7  ω    -69.00 -30.00   0.50    2.74    -- -102.00  61.00 -60.00   78
  8  ω    -69.00 -43.00   0.50    2.74    -- -102.00  61.00-180.00   52
  9  ω   -127.00 -30.00   0.50    2.74    -- -102.00  89.00-132.00  194
 10  ω   -150.00-125.00   0.50    2.74    -- -102.00 -89.00 111.00   50
 11  ω   -104.00 -71.00   0.50    0.68    --  -46.45-125.00-120.00   66
 12  ω      0.00  75.00   0.50    0.68    --   46.45 -89.00 111.00  150
 13  ω     61.00  87.00   0.50    2.74    --  104.75 -89.00 111.00   52
 14  ω     34.00  73.00   0.50    2.74    --  104.75 -61.00 120.00   78
 15  ω     33.00  73.00   0.50    2.74    --  104.75 -61.00 150.00   80
 16  ω     94.00 174.00   0.50    2.74    --  104.75  30.00 150.00  160
 17  ω     44.00  73.00   0.50    2.74    --  104.75 -61.00 -60.00   58
 18  ω     37.00  63.00   0.50    2.74    --  104.75 -61.00 -90.00   52
 19  ω    137.00 176.00   0.50    2.74    --  104.75  45.00-150.00   78
 20  ω    142.00 178.00   0.50    2.74    --  104.75  30.00-180.00   72
 21  ω    124.00 173.00   0.50    2.74    --  104.75  89.00-132.00   98
 22  ω     97.00 131.00   0.50    2.74    --  104.75  45.00-150.00   68
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0716131000
_diffrn_orient_matrix_UB_12      -0.0954690000
_diffrn_orient_matrix_UB_13      0.0285741000
_diffrn_orient_matrix_UB_21      0.0525688000
_diffrn_orient_matrix_UB_22      0.0168256000
_diffrn_orient_matrix_UB_23      0.1508915000
_diffrn_orient_matrix_UB_31      -0.1301726000
_diffrn_orient_matrix_UB_32      -0.0459910000
_diffrn_orient_matrix_UB_33      -0.0048602000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9713
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.367
_diffrn_reflns_theta_min         4.737
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.898
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light red'
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.566
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0744
_refine_ls_R_factor_gt           0.0671
_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)+(0.0757P)²+2.4019P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1696
_refine_ls_wR_factor_ref         0.1745
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2783
_reflns_number_total             3132
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02476k2.cif
_cod_data_source_block           HL1
_cod_database_code               7708608
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C H O N S'
_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.
;
_diffrn_oxdiff_digest_frames
;
01f8f5ab2457e861510022145f791b4ba0000327fe2
;
_diffrn_oxdiff_digest_hkl
;
0131858c65b90976257e37989bd283524b08fa
;
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Riding coordinates:
 O1(H1)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12), C14(H14),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20)
;
_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 1.251
_oxdiff_exptl_absorpt_empirical_full_min 0.837
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
S1 S 0.38660(7) -0.52878(5) -0.17100(7) 0.0290(2) Uani 1 1 d . . . . .
O1 O 0.1401(2) -0.44146(16) -0.2285(2) 0.0334(5) Uani 1 1 d . . . . .
H1 H 0.0753 -0.4318 -0.2137 0.050 Uiso 1 1 d R . . . .
N1 N 0.3857(3) -0.51715(18) -0.3936(2) 0.0307(6) Uani 1 1 d . . . . .
N2 N -0.0984(3) -0.38219(18) -0.2650(3) 0.0315(6) Uani 1 1 d . . . . .
C1 C 0.0989(3) -0.4142(2) -0.3527(3) 0.0272(6) Uani 1 1 d . . . . .
C2 C -0.0337(3) -0.3662(2) -0.4305(3) 0.0299(6) Uani 1 1 d . . . . .
C3 C -0.0744(3) -0.3380(2) -0.5592(3) 0.0298(6) Uani 1 1 d . . . . .
H3 H -0.1600 -0.3057 -0.6099 0.036 Uiso 1 1 calc R . . . .
C4 C 0.0097(3) -0.3571(2) -0.6125(3) 0.0321(7) Uani 1 1 d . . . . .
H4 H -0.0184 -0.3373 -0.6984 0.039 Uiso 1 1 calc R . . . .
C5 C 0.1369(3) -0.4060(2) -0.5382(3) 0.0290(6) Uani 1 1 d . . . . .
H5 H 0.1926 -0.4195 -0.5754 0.035 Uiso 1 1 calc R . . . .
C6 C 0.1827(3) -0.4355(2) -0.4077(3) 0.0268(6) Uani 1 1 d . . . . .
C7 C 0.3151(3) -0.4916(2) -0.3362(3) 0.0266(6) Uani 1 1 d . . . . .
C8 C 0.5060(3) -0.5694(2) -0.3060(3) 0.0292(6) Uani 1 1 d . . . . .
C9 C 0.6031(3) -0.6074(2) -0.3368(3) 0.0357(7) Uani 1 1 d . . . . .
H9 H 0.5908 -0.5993 -0.4211 0.043 Uiso 1 1 calc R . . . .
C10 C 0.7176(3) -0.6570(2) -0.2402(3) 0.0357(7) Uani 1 1 d . . . . .
H10 H 0.7830 -0.6830 -0.2598 0.043 Uiso 1 1 calc R . . . .
C11 C 0.7376(3) -0.6692(2) -0.1125(3) 0.0335(7) Uani 1 1 d . . . . .
H11 H 0.8161 -0.7028 -0.0487 0.040 Uiso 1 1 calc R . . . .
C12 C 0.6421(3) -0.6319(2) -0.0803(3) 0.0311(7) Uani 1 1 d . . . . .
H12 H 0.6557 -0.6396 0.0045 0.037 Uiso 1 1 calc R . . . .
C13 C 0.5244(3) -0.5823(2) -0.1790(3) 0.0274(6) Uani 1 1 d . . . . .
C14 C -0.1296(3) -0.3519(2) -0.3813(3) 0.0303(6) Uani 1 1 d . . . . .
H14 H -0.2153 -0.3202 -0.4339 0.036 Uiso 1 1 calc R . . . .
C15 C -0.1925(3) -0.3718(2) -0.2153(3) 0.0289(6) Uani 1 1 d . . . . .
C16 C -0.1381(3) -0.3986(2) -0.0825(3) 0.0325(7) Uani 1 1 d . . . . .
H16 H -0.0460 -0.4231 -0.0336 0.039 Uiso 1 1 calc R . . . .
C17 C -0.2195(3) -0.3891(2) -0.0235(3) 0.0345(7) Uani 1 1 d . . . . .
H17 H -0.1830 -0.4082 0.0642 0.041 Uiso 1 1 calc R . . . .
C18 C -0.3564(3) -0.3509(2) -0.0956(3) 0.0337(7) Uani 1 1 d . . . . .
H18 H -0.4107 -0.3428 -0.0555 0.040 Uiso 1 1 calc R . . . .
C19 C -0.4114(3) -0.3251(2) -0.2274(3) 0.0343(7) Uani 1 1 d . . . . .
H19 H -0.5033 -0.3004 -0.2758 0.041 Uiso 1 1 calc R . . . .
C20 C -0.3318(3) -0.3355(2) -0.2875(3) 0.0332(7) Uani 1 1 d . . . . .
H20 H -0.3705 -0.3185 -0.3763 0.040 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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 S1 C7 89.04(14) . . ?
C1 O1 H1 109.5 . . ?
C7 N1 C8 110.6(3) . . ?
C14 N2 C15 122.6(3) . . ?
O1 C1 C2 119.9(3) . . ?
O1 C1 C6 120.1(3) . . ?
C6 C1 C2 120.0(3) . . ?
C1 C2 C14 121.1(3) . . ?
C3 C2 C1 119.1(3) . . ?
C3 C2 C14 119.7(3) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(3) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 119.9(3) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.4 . . ?
C4 C5 C6 121.1(3) . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 118.9(3) . . ?
C1 C6 C7 122.5(3) . . ?
C5 C6 C7 118.6(3) . . ?
N1 C7 S1 115.8(2) . . ?
N1 C7 C6 121.5(3) . . ?
C6 C7 S1 122.8(2) . . ?
N1 C8 C13 114.7(3) . . ?
C9 C8 N1 124.8(3) . . ?
C9 C8 C13 120.5(3) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 C8 118.6(3) . . ?
C10 C9 H9 120.7 . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.2(3) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 H11 119.5 . . ?
C12 C11 C10 120.9(3) . . ?
C12 C11 H11 119.5 . . ?
C11 C12 H12 121.0 . . ?
C11 C12 C13 118.1(3) . . ?
C13 C12 H12 121.0 . . ?
C8 C13 S1 109.9(2) . . ?
C12 C13 S1 129.3(2) . . ?
C12 C13 C8 120.7(3) . . ?
N2 C14 C2 121.2(3) . . ?
N2 C14 H14 119.4 . . ?
C2 C14 H14 119.4 . . ?
C16 C15 N2 116.2(3) . . ?
C16 C15 C20 118.7(3) . . ?
C20 C15 N2 125.1(3) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 C15 120.7(3) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.9(3) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.6(3) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 119.6 . . ?
C20 C19 C18 120.9(3) . . ?
C20 C19 H19 119.6 . . ?
C15 C20 H20 119.9 . . ?
C19 C20 C15 120.2(3) . . ?
C19 C20 H20 119.9 . . ?
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
S1 C7 1.753(3) . ?
S1 C13 1.729(3) . ?
O1 H1 0.8194 . ?
O1 C1 1.339(3) . ?
N1 C7 1.306(4) . ?
N1 C8 1.395(4) . ?
N2 C14 1.295(4) . ?
N2 C15 1.420(4) . ?
C1 C2 1.427(4) . ?
C1 C6 1.393(4) . ?
C2 C3 1.391(4) . ?
C2 C14 1.441(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.374(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.404(4) . ?
C6 C7 1.478(4) . ?
C8 C9 1.390(5) . ?
C8 C13 1.404(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.374(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.404(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.381(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.400(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.400(4) . ?
C15 C20 1.403(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.380(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.393(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.385(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.375(5) . ?
C20 H20 0.9300 . ?
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 179.7(3) . . . . ?
O1 C1 C2 C14 -4.3(4) . . . . ?
O1 C1 C6 C5 -180.0(3) . . . . ?
O1 C1 C6 C7 2.8(4) . . . . ?
N1 C8 C9 C10 179.6(3) . . . . ?
N1 C8 C13 S1 0.7(3) . . . . ?
N1 C8 C13 C12 -178.8(3) . . . . ?
N2 C15 C16 C17 178.3(3) . . . . ?
N2 C15 C20 C19 -177.3(3) . . . . ?
C1 C2 C3 C4 1.1(4) . . . . ?
C1 C2 C14 N2 -0.1(4) . . . . ?
C1 C6 C7 S1 -5.2(4) . . . . ?
C1 C6 C7 N1 174.4(3) . . . . ?
C2 C1 C6 C5 2.3(4) . . . . ?
C2 C1 C6 C7 -175.0(3) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?
C3 C2 C14 N2 175.9(3) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
C4 C5 C6 C1 -0.6(4) . . . . ?
C4 C5 C6 C7 176.8(3) . . . . ?
C5 C6 C7 S1 177.6(2) . . . . ?
C5 C6 C7 N1 -2.9(4) . . . . ?
C6 C1 C2 C3 -2.6(4) . . . . ?
C6 C1 C2 C14 173.4(3) . . . . ?
C7 S1 C13 C8 -0.7(2) . . . . ?
C7 S1 C13 C12 178.7(3) . . . . ?
C7 N1 C8 C9 179.6(3) . . . . ?
C7 N1 C8 C13 -0.3(4) . . . . ?
C8 N1 C7 S1 -0.3(3) . . . . ?
C8 N1 C7 C6 -179.9(2) . . . . ?
C8 C9 C10 C11 -0.3(5) . . . . ?
C9 C8 C13 S1 -179.2(2) . . . . ?
C9 C8 C13 C12 1.3(4) . . . . ?
C9 C10 C11 C12 0.3(5) . . . . ?
C10 C11 C12 C13 0.5(5) . . . . ?
C11 C12 C13 S1 179.3(2) . . . . ?
C11 C12 C13 C8 -1.3(4) . . . . ?
C13 S1 C7 N1 0.6(2) . . . . ?
C13 S1 C7 C6 -179.9(2) . . . . ?
C13 C8 C9 C10 -0.5(5) . . . . ?
C14 N2 C15 C16 -173.1(3) . . . . ?
C14 N2 C15 C20 5.4(5) . . . . ?
C14 C2 C3 C4 -175.0(3) . . . . ?
C15 N2 C14 C2 -177.9(3) . . . . ?
C15 C16 C17 C18 -1.2(5) . . . . ?
C16 C15 C20 C19 1.2(4) . . . . ?
C16 C17 C18 C19 1.8(5) . . . . ?
C17 C18 C19 C20 -0.9(5) . . . . ?
C18 C19 C20 C15 -0.6(5) . . . . ?
C20 C15 C16 C17 -0.3(4) . . . . ?
