#------------------------------------------------------------------------------
#$Date: 2020-08-14 07:44:27 +0300 (Fri, 14 Aug 2020) $
#$Revision: 255314 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/22/2022232.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2022232
loop_
_publ_author_name
'Rodríguez, Diego'
'Guerrero, Sergio Andrés'
'Palma, Alirio'
'Cobo, Justo'
'Glidewell, Christopher'
_publ_section_title
;
 4-Styrylquinolines from cyclocondensation reactions between
 (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and
 regiochemistry
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229620010803
_journal_volume                  76
_journal_year                    2020
_chemical_formula_moiety         'C28 H23 N O'
_chemical_formula_sum            'C28 H23 N O'
_chemical_formula_weight         389.47
_chemical_name_systematic
;
(E)-1-(2-Methyl-4-((E)-4-methylstyryl)quinolin-3-yl)-3-
phenyl-prop-2-en-1-one 
;
_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
_atom_sites_solution_primary     difmap
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 114.132(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8168(6)
_cell_length_b                   17.3361(10)
_cell_length_c                   12.8892(6)
_cell_measurement_reflns_used    5041
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.472
_cell_measurement_theta_min      2.350
_cell_volume                     2205.8(2)
_computing_cell_refinement       'SAINT v8.38A (Bruker, 2017)'
_computing_data_collection       'APEX3 v2016.7-2 (Bruker, 2018)'
_computing_data_reduction        'SAINT v8.38A (Bruker, 2017)'
_computing_molecular_graphics    'PLATON (Spek, 2020)'
_computing_publication_material
'SHELXL-2014 (Sheldrick, 2015b) and PLATON (Spek, 2020)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2015a)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27250
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         2.350
_diffrn_source
'INCOATEC high brilliance microfocus sealed tube'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2 (Bruker, 2016)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.257
_refine_diff_density_min         -0.204
_refine_diff_density_rms         0.039
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         5040
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0429P)²+1.1410P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1103
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4180
_reflns_number_total             5040
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            sk3755sup14.cif
_cod_data_source_block           VIII
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2022232
_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_min   0.983
_shelx_estimated_absorpt_t_max   0.988
_shelxl_version_number           2014-3
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
N1 N 0.50050(11) 0.33448(7) 0.07044(9) 0.0245(3) Uani 1 1 d . . . . .
C2 C 0.47913(13) 0.38735(8) 0.13505(11) 0.0230(3) Uani 1 1 d . . . . .
C3 C 0.53949(12) 0.38367(8) 0.25675(11) 0.0196(3) Uani 1 1 d . . . . .
C4 C 0.62259(12) 0.32254(8) 0.31076(11) 0.0185(3) Uani 1 1 d . . . . .
C4A C 0.64768(12) 0.26474(8) 0.24249(11) 0.0193(3) Uani 1 1 d . . . . .
C5 C 0.73301(13) 0.20000(8) 0.28862(12) 0.0227(3) Uani 1 1 d . . . . .
H5 H 0.7752 0.1930 0.3687 0.027 Uiso 1 1 calc R U . . .
C6 C 0.75496(14) 0.14751(9) 0.21837(12) 0.0262(3) Uani 1 1 d . . . . .
H6 H 0.8130 0.1047 0.2501 0.031 Uiso 1 1 calc R U . . .
C7 C 0.69201(15) 0.15660(9) 0.09921(12) 0.0274(3) Uani 1 1 d . . . . .
H7 H 0.7078 0.1199 0.0513 0.033 Uiso 1 1 calc R U . . .
C8 C 0.60842(14) 0.21801(9) 0.05248(12) 0.0253(3) Uani 1 1 d . . . . .
H8 H 0.5659 0.2234 -0.0278 0.030 Uiso 1 1 calc R U . . .
C8A C 0.58441(13) 0.27378(8) 0.12257(11) 0.0210(3) Uani 1 1 d . . . . .
C21 C 0.38988(16) 0.45443(10) 0.07415(13) 0.0347(4) Uani 1 1 d . . . . .
H21A H 0.3651 0.4499 -0.0077 0.052 Uiso 1 1 calc R U . . .
H21B H 0.4390 0.5029 0.1021 0.052 Uiso 1 1 calc R U . . .
H21C H 0.3077 0.4541 0.0886 0.052 Uiso 1 1 calc R U . . .
C31 C 0.52663(13) 0.45237(8) 0.32438(11) 0.0198(3) Uani 1 1 d . . . . .
O31 O 0.62058(9) 0.49837(6) 0.36182(8) 0.0266(2) Uani 1 1 d . . . . .
C32 C 0.40230(13) 0.46458(8) 0.34169(11) 0.0208(3) Uani 1 1 d . . . . .
H32 H 0.3960 0.5097 0.3811 0.025 Uiso 1 1 calc R U . . .
C33 C 0.29732(13) 0.41592(8) 0.30516(11) 0.0194(3) Uani 1 1 d . . . . .
H33 H 0.3069 0.3699 0.2691 0.023 Uiso 1 1 calc R U . . .
C331 C 0.16875(13) 0.42718(8) 0.31570(11) 0.0193(3) Uani 1 1 d . . . . .
C332 C 0.14175(14) 0.49368(8) 0.36475(12) 0.0262(3) Uani 1 1 d . . . . .
H332 H 0.2090 0.5326 0.3944 0.031 Uiso 1 1 calc R U . . .
C333 C 0.01733(15) 0.50288(10) 0.37006(14) 0.0333(3) Uani 1 1 d . . . . .
H333 H -0.0004 0.5482 0.4030 0.040 Uiso 1 1 calc R U . . .
C334 C -0.08161(15) 0.44641(10) 0.32762(13) 0.0328(4) Uani 1 1 d . . . . .
H334 H -0.1669 0.4532 0.3312 0.039 Uiso 1 1 calc R U . . .
C335 C -0.05566(14) 0.38027(10) 0.28013(12) 0.0296(3) Uani 1 1 d . . . . .
H335 H -0.1230 0.3413 0.2517 0.035 Uiso 1 1 calc R U . . .
C336 C 0.06872(13) 0.37057(8) 0.27388(11) 0.0234(3) Uani 1 1 d . . . . .
H336 H 0.0857 0.3250 0.2409 0.028 Uiso 1 1 calc R U . . .
C41 C 0.68716(13) 0.31651(8) 0.43629(11) 0.0200(3) Uani 1 1 d . . . . .
H41 H 0.7827 0.3103 0.4722 0.024 Uiso 1 1 calc R U . . .
C42 C 0.61803(13) 0.31935(8) 0.50155(11) 0.0200(3) Uani 1 1 d . . . . .
H42 H 0.5222 0.3219 0.4631 0.024 Uiso 1 1 calc R U . . .
C421 C 0.67429(13) 0.31903(8) 0.62634(11) 0.0199(3) Uani 1 1 d . . . . .
C422 C 0.81289(14) 0.31078(9) 0.69415(12) 0.0256(3) Uani 1 1 d . . . . .
H422 H 0.8733 0.2998 0.6595 0.031 Uiso 1 1 calc R U . . .
C423 C 0.86295(15) 0.31846(9) 0.81107(12) 0.0280(3) Uani 1 1 d . . . . .
H423 H 0.9574 0.3131 0.8554 0.034 Uiso 1 1 calc R U . . .
C424 C 0.77691(15) 0.33401(8) 0.86502(11) 0.0261(3) Uani 1 1 d . . . . .
C425 C 0.63899(15) 0.33978(8) 0.79848(12) 0.0252(3) Uani 1 1 d . . . . .
H425 H 0.5785 0.3487 0.8338 0.030 Uiso 1 1 calc R U . . .
C426 C 0.58807(14) 0.33272(8) 0.68099(11) 0.0223(3) Uani 1 1 d . . . . .
H426 H 0.4933 0.3372 0.6371 0.027 Uiso 1 1 calc R U . . .
C427 C 0.83420(18) 0.34530(11) 0.99217(13) 0.0370(4) Uani 1 1 d . . . . .
H42A H 0.8649 0.2956 1.0302 0.055 Uiso 1 1 calc R U . . .
H42B H 0.7640 0.3665 1.0136 0.055 Uiso 1 1 calc R U . . .
H42C H 0.9109 0.3811 1.0153 0.055 Uiso 1 1 calc R U . . .
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'
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
C2 N1 C8A 118.33(12) . . ?
N1 C2 C3 122.71(13) . . ?
N1 C2 C21 116.50(12) . . ?
C3 C2 C21 120.77(12) . . ?
C4 C3 C2 119.85(12) . . ?
C4 C3 C31 120.49(11) . . ?
C2 C3 C31 119.12(12) . . ?
C3 C4 C4A 118.41(11) . . ?
C3 C4 C41 121.64(12) . . ?
C4A C4 C41 119.94(12) . . ?
C5 C4A C8A 118.98(12) . . ?
C5 C4A C4 123.39(12) . . ?
C8A C4A C4 117.63(12) . . ?
C6 C5 C4A 120.42(13) . . ?
C6 C5 H5 119.8 . . ?
C4A C5 H5 119.8 . . ?
C5 C6 C7 120.52(14) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 120.28(13) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C8A 120.72(13) . . ?
C7 C8 H8 119.6 . . ?
C8A C8 H8 119.6 . . ?
N1 C8A C8 117.88(12) . . ?
N1 C8A C4A 123.05(12) . . ?
C8 C8A C4A 119.07(13) . . ?
C2 C21 H21A 109.5 . . ?
C2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O31 C31 C32 120.73(12) . . ?
O31 C31 C3 118.81(11) . . ?
C32 C31 C3 120.44(11) . . ?
C33 C32 C31 123.75(12) . . ?
C33 C32 H32 118.1 . . ?
C31 C32 H32 118.1 . . ?
C32 C33 C331 125.84(12) . . ?
C32 C33 H33 117.1 . . ?
C331 C33 H33 117.1 . . ?
C336 C331 C332 118.75(12) . . ?
C336 C331 C33 119.08(12) . . ?
C332 C331 C33 122.15(12) . . ?
C333 C332 C331 120.20(13) . . ?
C333 C332 H332 119.9 . . ?
C331 C332 H332 119.9 . . ?
C332 C333 C334 120.53(14) . . ?
C332 C333 H333 119.7 . . ?
C334 C333 H333 119.7 . . ?
C335 C334 C333 119.78(13) . . ?
C335 C334 H334 120.1 . . ?
C333 C334 H334 120.1 . . ?
C334 C335 C336 120.18(14) . . ?
C334 C335 H335 119.9 . . ?
C336 C335 H335 119.9 . . ?
C335 C336 C331 120.55(13) . . ?
C335 C336 H336 119.7 . . ?
C331 C336 H336 119.7 . . ?
C42 C41 C4 123.37(12) . . ?
C42 C41 H41 118.3 . . ?
C4 C41 H41 118.3 . . ?
C41 C42 C421 126.98(12) . . ?
C41 C42 H42 116.5 . . ?
C421 C42 H42 116.5 . . ?
C426 C421 C422 117.83(12) . . ?
C426 C421 C42 119.17(12) . . ?
C422 C421 C42 122.85(12) . . ?
C423 C422 C421 120.82(13) . . ?
C423 C422 H422 119.6 . . ?
C421 C422 H422 119.6 . . ?
C422 C423 C424 121.13(13) . . ?
C422 C423 H423 119.4 . . ?
C424 C423 H423 119.4 . . ?
C425 C424 C423 118.23(13) . . ?
C425 C424 C427 121.48(13) . . ?
C423 C424 C427 120.28(13) . . ?
C424 C425 C426 120.95(13) . . ?
C424 C425 H425 119.5 . . ?
C426 C425 H425 119.5 . . ?
C425 C426 C421 120.98(13) . . ?
C425 C426 H426 119.5 . . ?
C421 C426 H426 119.5 . . ?
C424 C427 H42A 109.5 . . ?
C424 C427 H42B 109.5 . . ?
H42A C427 H42B 109.5 . . ?
C424 C427 H42C 109.5 . . ?
H42A C427 H42C 109.5 . . ?
H42B C427 H42C 109.5 . . ?
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
N1 C2 1.3207(18) . ?
N1 C8A 1.3725(18) . ?
C2 C3 1.4330(18) . ?
C2 C21 1.510(2) . ?
C3 C4 1.3798(19) . ?
C3 C31 1.5156(19) . ?
C4 C4A 1.4308(18) . ?
C4 C41 1.4807(17) . ?
C4A C5 1.4199(19) . ?
C4A C8A 1.4202(18) . ?
C5 C6 1.3712(19) . ?
C5 H5 0.9500 . ?
C6 C7 1.411(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.367(2) . ?
C7 H7 0.9500 . ?
C8 C8A 1.4179(19) . ?
C8 H8 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 O31 1.2249(16) . ?
C31 C32 1.4658(17) . ?
C32 C33 1.3364(18) . ?
C32 H32 0.9500 . ?
C33 C331 1.4647(17) . ?
C33 H33 0.9500 . ?
C331 C336 1.3954(19) . ?
C331 C332 1.4019(19) . ?
C332 C333 1.384(2) . ?
C332 H332 0.9500 . ?
C333 C334 1.387(2) . ?
C333 H333 0.9500 . ?
C334 C335 1.381(2) . ?
C334 H334 0.9500 . ?
C335 C336 1.3905(19) . ?
C335 H335 0.9500 . ?
C336 H336 0.9500 . ?
C41 C42 1.3355(18) . ?
C41 H41 0.9500 . ?
C42 C421 1.4688(18) . ?
C42 H42 0.9500 . ?
C421 C426 1.3998(18) . ?
C421 C422 1.4002(19) . ?
C422 C423 1.3838(19) . ?
C422 H422 0.9500 . ?
C423 C424 1.397(2) . ?
C423 H423 0.9500 . ?
C424 C425 1.387(2) . ?
C424 C427 1.5092(19) . ?
C425 C426 1.3891(19) . ?
C425 H425 0.9500 . ?
C426 H426 0.9500 . ?
C427 H42A 0.9800 . ?
C427 H42B 0.9800 . ?
C427 H42C 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C334 H334 O31 0.95 2.61 3.542(2) 168 1_455 no
C7 H7 Cg5 0.95 2.93 3.6437(16) 133 4_665 no
C422 H422 Cg1 0.95 2.93 3.6300(17) 132 4_666 no
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
C8A N1 C2 C3 -0.21(19) . . . . ?
C8A N1 C2 C21 178.03(13) . . . . ?
N1 C2 C3 C4 -0.7(2) . . . . ?
C21 C2 C3 C4 -178.89(13) . . . . ?
N1 C2 C3 C31 170.96(12) . . . . ?
C21 C2 C3 C31 -7.21(19) . . . . ?
C2 C3 C4 C4A 0.97(18) . . . . ?
C31 C3 C4 C4A -170.59(11) . . . . ?
C2 C3 C4 C41 179.91(12) . . . . ?
C31 C3 C4 C41 8.35(18) . . . . ?
C3 C4 C4A C5 178.97(12) . . . . ?
C41 C4 C4A C5 0.01(18) . . . . ?
C3 C4 C4A C8A -0.34(17) . . . . ?
C41 C4 C4A C8A -179.30(11) . . . . ?
C8A C4A C5 C6 0.65(19) . . . . ?
C4 C4A C5 C6 -178.65(12) . . . . ?
C4A C5 C6 C7 -0.7(2) . . . . ?
C5 C6 C7 C8 0.1(2) . . . . ?
C6 C7 C8 C8A 0.5(2) . . . . ?
C2 N1 C8A C8 -179.00(12) . . . . ?
C2 N1 C8A C4A 0.88(19) . . . . ?
C7 C8 C8A N1 179.37(13) . . . . ?
C7 C8 C8A C4A -0.51(19) . . . . ?
C5 C4A C8A N1 -179.95(12) . . . . ?
C4 C4A C8A N1 -0.60(18) . . . . ?
C5 C4A C8A C8 -0.08(18) . . . . ?
C4 C4A C8A C8 179.27(11) . . . . ?
C4 C3 C31 O31 74.03(16) . . . . ?
C2 C3 C31 O31 -97.59(15) . . . . ?
C4 C3 C31 C32 -107.71(14) . . . . ?
C2 C3 C31 C32 80.67(16) . . . . ?
O31 C31 C32 C33 -178.58(13) . . . . ?
C3 C31 C32 C33 3.2(2) . . . . ?
C31 C32 C33 C331 -177.04(12) . . . . ?
C32 C33 C331 C336 -179.53(13) . . . . ?
C32 C33 C331 C332 1.6(2) . . . . ?
C336 C331 C332 C333 -0.7(2) . . . . ?
C33 C331 C332 C333 178.17(13) . . . . ?
C331 C332 C333 C334 0.4(2) . . . . ?
C332 C333 C334 C335 0.3(2) . . . . ?
C333 C334 C335 C336 -0.6(2) . . . . ?
C334 C335 C336 C331 0.2(2) . . . . ?
C332 C331 C336 C335 0.4(2) . . . . ?
C33 C331 C336 C335 -178.49(12) . . . . ?
C3 C4 C41 C42 54.17(19) . . . . ?
C4A C4 C41 C42 -126.90(14) . . . . ?
C4 C41 C42 C421 -175.61(13) . . . . ?
C41 C42 C421 C426 171.50(14) . . . . ?
C41 C42 C421 C422 -4.0(2) . . . . ?
C426 C421 C422 C423 -2.1(2) . . . . ?
C42 C421 C422 C423 173.53(14) . . . . ?
C421 C422 C423 C424 0.5(2) . . . . ?
C422 C423 C424 C425 1.5(2) . . . . ?
C422 C423 C424 C427 -177.57(15) . . . . ?
C423 C424 C425 C426 -2.0(2) . . . . ?
C427 C424 C425 C426 177.07(14) . . . . ?
C424 C425 C426 C421 0.5(2) . . . . ?
C422 C421 C426 C425 1.6(2) . . . . ?
C42 C421 C426 C425 -174.18(13) . . . . ?
