#------------------------------------------------------------------------------
#$Date: 2020-06-27 08:14:44 +0300 (Sat, 27 Jun 2020) $
#$Revision: 253514 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/34/2243455.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_2243455
loop_
_publ_author_name
'Wadayama, Kosei'
'Takase, Tsugiko'
'Oyama, Dai'
_publ_section_title
;
 Selective synthesis and crystal structures of manganese(I) complexes with
 a bi- or tridentate terpyridine ligand
;
_journal_coeditor_code           WM5569
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1139
_journal_page_last               1142
_journal_paper_doi               10.1107/S2056989020008178
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '[Mn Br (C21 H15 N3) (C O)2]'
_chemical_formula_moiety         'C23 H15 Br Mn N3 O2'
_chemical_formula_sum            'C23 H15 Br Mn N3 O2'
_chemical_formula_weight         500.23
_chemical_name_systematic
cis-Bromidodicarbonyl(4'-phenyl-2,2':6',2''-terpyridine-κ³N,N',N'')manganese(I)
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 96.767(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.497(3)
_cell_length_b                   14.123(5)
_cell_length_c                   13.504(4)
_cell_measurement_reflns_used    5160
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.04
_cell_volume                     1988.0(11)
_computing_cell_refinement
;
CrystalClear (Rigaku, 2008)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2008)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2008)
;
_computing_molecular_graphics
;
Mercury (Macrae et al.,  2020), ORTEP-3 for Windows (Farrugia,
2012)
;
_computing_publication_material
;
CrystalStructure (Rigaku, 2019), PLATON (Spek, 2020),
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR97 (Altomare et al.,  1999)
;
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 28.626
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19872
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.460
_diffrn_reflns_theta_min         3.038
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.706
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(REQAB, Rigaku, 1998)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1000.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.83
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.270
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4518
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0039P)²+5.6867P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.0960
_reflns_number_gt                4016
_reflns_number_total             4518
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            wm5569sup1.cif
_cod_data_source_block           II
_cod_database_code               2243455
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+Z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br Br1 0.39194(6) 0.11344(3) 0.73710(4) 0.02535(17) Uani d 0.807(2) . .
O O2 -0.0653(5) 0.0445(4) 0.8859(4) 0.0351(15) Uani d 0.807(2) . .
C C2 0.0332(9) 0.0641(9) 0.8536(10) 0.037(3) Uani d 0.807(2) A .
Br Br2 -0.0197(5) 0.0661(4) 0.8657(4) 0.0403(14) Uani d 0.193(2) A 1
O O3 0.4377(18) 0.1006(12) 0.7111(13) 0.033(4) Uiso d 0.193(2) A 1
C C3 0.339(3) 0.092(3) 0.746(3) 0.076(12) Uiso d 0.193(2) A 1
Mn Mn1 0.18158(5) 0.08786(4) 0.80533(4) 0.02451(14) Uani d 1 A 2
O O1 0.1797(3) -0.10749(19) 0.7376(2) 0.0359(6) Uani d 1 A 2
N N1 0.2796(3) 0.0760(2) 0.9421(2) 0.0224(6) Uani d 1 A 2
N N2 0.2005(3) 0.22091(19) 0.8440(2) 0.0202(6) Uani d 1 A 2
N N3 0.0937(3) 0.1521(2) 0.6822(2) 0.0219(6) Uani d 1 A 2
C C1 0.1807(4) -0.0334(3) 0.7637(3) 0.0310(8) Uani d 1 A 2
C C4 0.3125(3) -0.0050(3) 0.9917(3) 0.0275(8) Uani d 1 A 2
H H1 0.288826 -0.063547 0.960043 0.033 Uiso calc 1 A 2
C C5 0.3784(4) -0.0070(3) 1.0856(3) 0.0298(8) Uani d 1 A 2
H H2 0.400366 -0.065698 1.117441 0.036 Uiso calc 1 A 2
C C6 0.4125(4) 0.0773(3) 1.1335(3) 0.0301(8) Uani d 1 A 2
H H3 0.458098 0.077281 1.198549 0.036 Uiso calc 1 A 2
C C7 0.3789(3) 0.1623(3) 1.0847(3) 0.0257(7) Uani d 1 A 2
H H4 0.400583 0.221221 1.116233 0.031 Uiso calc 1 A 2
C C8 0.3132(3) 0.1592(2) 0.9894(3) 0.0217(7) Uani d 1 A 2
C C9 0.2711(3) 0.2443(2) 0.9303(3) 0.0212(7) Uani d 1 A 2
C C10 0.3006(3) 0.3376(2) 0.9548(3) 0.0227(7) Uani d 1 A 2
H H5 0.351261 0.352547 1.015754 0.027 Uiso calc 1 A 2
C C11 0.2548(3) 0.4096(2) 0.8886(3) 0.0223(7) Uani d 1 A 2
C C12 0.1818(3) 0.3838(2) 0.7994(3) 0.0225(7) Uani d 1 A 2
H H6 0.149023 0.431227 0.753384 0.027 Uiso calc 1 A 2
C C13 0.1572(3) 0.2887(2) 0.7779(3) 0.0208(7) Uani d 1 A 2
C C14 0.0918(3) 0.2483(2) 0.6854(3) 0.0210(7) Uani d 1 A 2
C C15 0.0335(3) 0.3016(3) 0.6061(3) 0.0251(7) Uani d 1 A 2
H H7 0.033795 0.368774 0.609582 0.030 Uiso calc 1 A 2
C C16 -0.0251(3) 0.2560(3) 0.5220(3) 0.0274(8) Uani d 1 A 2
H H8 -0.066553 0.291366 0.467603 0.033 Uiso calc 1 A 2
C C17 -0.0223(3) 0.1587(3) 0.5187(3) 0.0277(8) Uani d 1 A 2
H H9 -0.060962 0.125743 0.461531 0.033 Uiso calc 1 A 2
C C18 0.0376(3) 0.1095(3) 0.5994(3) 0.0262(7) Uani d 1 A 2
H H10 0.039210 0.042307 0.596314 0.031 Uiso calc 1 A 2
C C19 0.2863(3) 0.5109(2) 0.9128(3) 0.0247(7) Uani d 1 A 2
C C20 0.3268(4) 0.5390(3) 1.0100(3) 0.0316(8) Uani d 1 A 2
H H11 0.333688 0.493598 1.062254 0.038 Uiso calc 1 A 2
C C21 0.3573(4) 0.6332(3) 1.0315(3) 0.0385(10) Uani d 1 A 2
H H12 0.385755 0.651422 1.098118 0.046 Uiso calc 1 A 2
C C22 0.3466(4) 0.7000(3) 0.9572(4) 0.0379(10) Uani d 1 A 2
H H13 0.367454 0.764157 0.972651 0.045 Uiso calc 1 A 2
C C23 0.3056(4) 0.6739(3) 0.8598(3) 0.0376(10) Uani d 1 A 2
H H14 0.297827 0.720240 0.808386 0.045 Uiso calc 1 A 2
C C24 0.2757(4) 0.5797(3) 0.8373(3) 0.0299(8) Uani d 1 A 2
H H15 0.247979 0.561819 0.770438 0.036 Uiso calc 1 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Br Br -0.2901 2.4595
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Mn Mn 0.3368 0.7283
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Br1 C3 . . 131(4) ?
Br2 O2 C2 . . 15.7(10) ?
Br2 C2 O2 . . 17.2(12) ?
O2 C2 Mn1 . . 177.5(10) ?
C2 Br2 O2 . . 147(2) ?
Br1 O3 C3 . . 24(2) ?
Br1 C3 O3 . . 24.3(19) ?
C2 Mn1 C1 . . 87.9(4) ?
C2 Mn1 N2 . . 98.6(4) ?
C1 Mn1 N2 . . 173.57(15) ?
C2 Mn1 N1 . . 91.3(4) ?
C1 Mn1 N1 . . 100.98(14) ?
N2 Mn1 N1 . . 79.05(12) ?
C2 Mn1 N3 . . 93.0(4) ?
C1 Mn1 N3 . . 100.66(15) ?
N2 Mn1 N3 . . 79.05(12) ?
N1 Mn1 N3 . . 158.08(12) ?
C2 Mn1 Br1 . . 177.4(4) ?
C1 Mn1 Br1 . . 89.68(12) ?
N2 Mn1 Br1 . . 83.89(8) ?
N1 Mn1 Br1 . . 88.42(8) ?
N3 Mn1 Br1 . . 88.26(8) ?
C4 N1 C8 . . 117.4(3) ?
C4 N1 Mn1 . . 126.8(3) ?
C8 N1 Mn1 . . 115.8(2) ?
C9 N2 C13 . . 120.4(3) ?
C9 N2 Mn1 . . 119.7(2) ?
C13 N2 Mn1 . . 119.3(2) ?
C18 N3 C14 . . 117.9(3) ?
C18 N3 Mn1 . . 126.7(2) ?
C14 N3 Mn1 . . 115.5(2) ?
O1 C1 Mn1 . . 179.5(4) ?
N1 C4 C5 . . 123.2(4) ?
N1 C4 H1 . . 118.4 ?
C5 C4 H1 . . 118.4 ?
C4 C5 C6 . . 119.4(3) ?
C4 C5 H2 . . 120.3 ?
C6 C5 H2 . . 120.3 ?
C5 C6 C7 . . 118.9(3) ?
C5 C6 H3 . . 120.5 ?
C7 C6 H3 . . 120.5 ?
C8 C7 C6 . . 118.8(3) ?
C8 C7 H4 . . 120.6 ?
C6 C7 H4 . . 120.6 ?
N1 C8 C7 . . 122.3(3) ?
N1 C8 C9 . . 113.7(3) ?
C7 C8 C9 . . 124.0(3) ?
N2 C9 C10 . . 121.7(3) ?
N2 C9 C8 . . 111.5(3) ?
C10 C9 C8 . . 126.8(3) ?
C9 C10 C11 . . 119.2(3) ?
C9 C10 H5 . . 120.4 ?
C11 C10 H5 . . 120.4 ?
C12 C11 C10 . . 118.2(3) ?
C12 C11 C19 . . 121.5(3) ?
C10 C11 C19 . . 120.3(3) ?
C13 C12 C11 . . 120.0(3) ?
C13 C12 H6 . . 120.0 ?
C11 C12 H6 . . 120.0 ?
N2 C13 C12 . . 120.4(3) ?
N2 C13 C14 . . 112.0(3) ?
C12 C13 C14 . . 127.5(3) ?
N3 C14 C15 . . 121.5(3) ?
N3 C14 C13 . . 114.1(3) ?
C15 C14 C13 . . 124.4(3) ?
C16 C15 C14 . . 119.6(3) ?
C16 C15 H7 . . 120.2 ?
C14 C15 H7 . . 120.2 ?
C17 C16 C15 . . 118.8(3) ?
C17 C16 H8 . . 120.6 ?
C15 C16 H8 . . 120.6 ?
C16 C17 C18 . . 119.1(3) ?
C16 C17 H9 . . 120.4 ?
C18 C17 H9 . . 120.4 ?
N3 C18 C17 . . 123.1(3) ?
N3 C18 H10 . . 118.4 ?
C17 C18 H10 . . 118.4 ?
C20 C19 C24 . . 118.5(3) ?
C20 C19 C11 . . 121.0(3) ?
C24 C19 C11 . . 120.5(3) ?
C21 C20 C19 . . 120.5(4) ?
C21 C20 H11 . . 119.8 ?
C19 C20 H11 . . 119.8 ?
C22 C21 C20 . . 120.6(4) ?
C22 C21 H12 . . 119.7 ?
C20 C21 H12 . . 119.7 ?
C21 C22 C23 . . 120.1(4) ?
C21 C22 H13 . . 120.0 ?
C23 C22 H13 . . 120.0 ?
C22 C23 C24 . . 119.8(4) ?
C22 C23 H14 . . 120.1 ?
C24 C23 H14 . . 120.1 ?
C23 C24 C19 . . 120.5(4) ?
C23 C24 H15 . . 119.8 ?
C19 C24 H15 . . 119.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Br1 O3 . 0.65(2) ?
Br1 C3 . 0.66(3) ?
Br1 Mn1 . 2.5170(11) ?
O2 Br2 . 0.654(5) ?
O2 C2 . 1.201(11) ?
C2 Br2 . 0.597(8) ?
C2 Mn1 . 1.790(9) ?
O3 C3 . 1.194(18) ?
Mn1 C1 . 1.803(4) ?
Mn1 N2 . 1.954(3) ?
Mn1 N1 . 2.012(3) ?
Mn1 N3 . 2.019(3) ?
O1 C1 . 1.103(5) ?
N1 C4 . 1.350(4) ?
N1 C8 . 1.364(4) ?
N2 C9 . 1.346(4) ?
N2 C13 . 1.351(4) ?
N3 C18 . 1.343(4) ?
N3 C14 . 1.360(4) ?
C4 C5 . 1.371(5) ?
C4 H1 . 0.9500 ?
C5 C6 . 1.381(6) ?
C5 H2 . 0.9500 ?
C6 C7 . 1.395(5) ?
C6 H3 . 0.9500 ?
C7 C8 . 1.387(5) ?
C7 H4 . 0.9500 ?
C8 C9 . 1.481(5) ?
C9 C10 . 1.384(5) ?
C10 C11 . 1.401(5) ?
C10 H5 . 0.9500 ?
C11 C12 . 1.398(5) ?
C11 C19 . 1.496(5) ?
C12 C13 . 1.392(5) ?
C12 H6 . 0.9500 ?
C13 C14 . 1.468(5) ?
C14 C15 . 1.390(5) ?
C15 C16 . 1.384(5) ?
C15 H7 . 0.9500 ?
C16 C17 . 1.376(5) ?
C16 H8 . 0.9500 ?
C17 C18 . 1.380(5) ?
C17 H9 . 0.9500 ?
C18 H10 . 0.9500 ?
C19 C20 . 1.390(5) ?
C19 C24 . 1.402(5) ?
C20 C21 . 1.390(5) ?
C20 H11 . 0.9500 ?
C21 C22 . 1.371(6) ?
C21 H12 . 0.9500 ?
C22 C23 . 1.385(6) ?
C22 H13 . 0.9500 ?
C23 C24 . 1.393(5) ?
C23 H14 . 0.9500 ?
C24 H15 . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C5 H2 Br1 3_657 0.95 2.84 3.528(4) 130
C7 H4 Br1 4_566 0.95 2.86 3.771(4) 162
C12 H6 Br2 2_556 0.95 2.75 3.688(7) 171
C12 H6 O2 2_556 0.95 2.55 3.491(7) 173
C15 H7 Br2 2_556 0.95 2.81 3.759(7) 175
C15 H7 O2 2_556 0.95 2.50 3.447(7) 172
C16 H8 Br2 4_565 0.95 2.52 3.286(7) 138
C16 H8 O2 4_565 0.95 2.57 3.363(7) 141
C20 H11 Br1 4_566 0.95 2.81 3.743(4) 168
C20 H11 O3 4_566 0.95 2.55 3.446(18) 158
C24 H15 Br2 2_556 0.95 2.84 3.611(7) 139
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C8 N1 C4 C5 . . . . -0.7(5) ?
Mn1 N1 C4 C5 . . . . -179.2(3) ?
N1 C4 C5 C6 . . . . 0.7(6) ?
C4 C5 C6 C7 . . . . 0.0(5) ?
C5 C6 C7 C8 . . . . -0.5(5) ?
C4 N1 C8 C7 . . . . 0.1(5) ?
Mn1 N1 C8 C7 . . . . 178.8(3) ?
C4 N1 C8 C9 . . . . -178.9(3) ?
Mn1 N1 C8 C9 . . . . -0.2(4) ?
C6 C7 C8 N1 . . . . 0.5(5) ?
C6 C7 C8 C9 . . . . 179.4(3) ?
C13 N2 C9 C10 . . . . 0.7(5) ?
Mn1 N2 C9 C10 . . . . 171.8(2) ?
C13 N2 C9 C8 . . . . -177.5(3) ?
Mn1 N2 C9 C8 . . . . -6.4(4) ?
N1 C8 C9 N2 . . . . 4.1(4) ?
C7 C8 C9 N2 . . . . -174.9(3) ?
N1 C8 C9 C10 . . . . -174.0(3) ?
C7 C8 C9 C10 . . . . 7.0(5) ?
N2 C9 C10 C11 . . . . 0.6(5) ?
C8 C9 C10 C11 . . . . 178.5(3) ?
C9 C10 C11 C12 . . . . -0.7(5) ?
C9 C10 C11 C19 . . . . -179.4(3) ?
C10 C11 C12 C13 . . . . -0.5(5) ?
C19 C11 C12 C13 . . . . 178.2(3) ?
C9 N2 C13 C12 . . . . -1.9(5) ?
Mn1 N2 C13 C12 . . . . -173.0(2) ?
C9 N2 C13 C14 . . . . 175.2(3) ?
Mn1 N2 C13 C14 . . . . 4.1(4) ?
C11 C12 C13 N2 . . . . 1.8(5) ?
C11 C12 C13 C14 . . . . -174.8(3) ?
C18 N3 C14 C15 . . . . 0.3(5) ?
Mn1 N3 C14 C15 . . . . -179.4(3) ?
C18 N3 C14 C13 . . . . -179.0(3) ?
Mn1 N3 C14 C13 . . . . 1.3(4) ?
N2 C13 C14 N3 . . . . -3.4(4) ?
C12 C13 C14 N3 . . . . 173.5(3) ?
N2 C13 C14 C15 . . . . 177.4(3) ?
C12 C13 C14 C15 . . . . -5.7(6) ?
N3 C14 C15 C16 . . . . 0.5(5) ?
C13 C14 C15 C16 . . . . 179.7(3) ?
C14 C15 C16 C17 . . . . -1.0(5) ?
C15 C16 C17 C18 . . . . 0.7(5) ?
C14 N3 C18 C17 . . . . -0.6(5) ?
Mn1 N3 C18 C17 . . . . 179.1(3) ?
C16 C17 C18 N3 . . . . 0.1(6) ?
C12 C11 C19 C20 . . . . 162.1(3) ?
C10 C11 C19 C20 . . . . -19.3(5) ?
C12 C11 C19 C24 . . . . -18.0(5) ?
C10 C11 C19 C24 . . . . 160.6(3) ?
C24 C19 C20 C21 . . . . -0.7(6) ?
C11 C19 C20 C21 . . . . 179.2(3) ?
C19 C20 C21 C22 . . . . 0.7(6) ?
C20 C21 C22 C23 . . . . -0.2(6) ?
C21 C22 C23 C24 . . . . -0.3(6) ?
C22 C23 C24 C19 . . . . 0.3(6) ?
C20 C19 C24 C23 . . . . 0.2(5) ?
C11 C19 C24 C23 . . . . -179.7(3) ?

_cod_database_fobs_code 2243455
