#------------------------------------------------------------------------------
#$Date: 2020-04-22 06:26:41 +0300 (Wed, 22 Apr 2020) $
#$Revision: 251010 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/33/2243367.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_2243367
loop_
_publ_author_name
'Kiran Kumar, Haruvegowda'
'Yathirajan, Hemmige S.'
Asma
'Manju, Nagaraja'
'Kalluraya, Balakrishna'
'Rathore, Ravindranath S.'
'Glidewell, Christopher'
_publ_section_title
;
 Functionalized
 3-(5-aryloxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(4-substituted-phenyl)prop-2-en-1-ones:
 synthetic pathway, and the structures of six examples
;
_journal_coeditor_code           MW2158
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              683
_journal_page_last               691
_journal_paper_doi               10.1107/S2056989020005113
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C26 H21 N5 O2'
_chemical_formula_moiety         'C26 H21 N5 O2'
_chemical_formula_sum            'C26 H21 N5 O2'
_chemical_formula_weight         435.48
_chemical_name_systematic
1-(4-Azidophenyl)-3-[3-methyl-5-(2-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                114.120(2)
_cell_angle_beta                 111.139(2)
_cell_angle_gamma                96.537(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8432(6)
_cell_length_b                   11.7441(7)
_cell_length_c                   12.3005(7)
_cell_measurement_reflns_used    4051
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      25.077
_cell_measurement_theta_min      3.221
_cell_volume                     1152.06(12)
_computing_cell_refinement
;
APEX3/SAINT V8.37A (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT/XPREP (Bruker, 2016)
;
_computing_molecular_graphics
;
PLATON (Spek, 2020)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b) and PLATON (Spek, 2020)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014/5 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17379
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.078
_diffrn_reflns_theta_min         3.471
_diffrn_source                   'fine focussealed tube'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_description       block
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.192
_refine_diff_density_min         -0.215
_refine_ls_extinction_coef       0.179(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         4050
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0497
_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)+(0.0547P)²+0.4937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1475
_reflns_number_gt                2957
_reflns_number_total             4050
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            mw2158sup1.cif
_cod_data_source_block           IIa
_cod_database_code               2243367
_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   0.984
_shelx_estimated_absorpt_t_max   0.985
_shelxl_version_number           2.014
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
C C1 0.6025(2) 0.4013(2) 0.8884(2) 0.0473(5) Uani d 1 . .
O O1 0.66955(18) 0.33036(17) 0.9214(2) 0.0733(5) Uani d 1 . .
C C2 0.4353(2) 0.3679(2) 0.8333(2) 0.0465(5) Uani d 1 . .
H H2 0.3862 0.4229 0.8090 0.056 Uiso calc 1 . .
C C3 0.3533(2) 0.2591(2) 0.8180(2) 0.0459(5) Uani d 1 . .
H H3 0.4098 0.2111 0.8489 0.055 Uiso calc 1 . .
C C11 0.6922(2) 0.52181(19) 0.90264(19) 0.0415(5) Uani d 1 . .
C C12 0.8501(2) 0.5646(2) 0.9800(2) 0.0462(5) Uani d 1 . .
H H12 0.8940 0.5193 1.0229 0.055 Uiso calc 1 . .
C C13 0.9434(2) 0.6725(2) 0.9947(2) 0.0471(5) Uani d 1 . .
H H13 1.0487 0.6991 1.0463 0.057 Uiso calc 1 . .
C C14 0.8781(2) 0.7402(2) 0.9317(2) 0.0480(5) Uani d 1 . .
C C15 0.7212(2) 0.7008(2) 0.8556(2) 0.0557(6) Uani d 1 . .
H H15 0.6776 0.7473 0.8142 0.067 Uiso calc 1 . .
C C16 0.6292(2) 0.5923(2) 0.8413(2) 0.0519(5) Uani d 1 . .
H H16 0.5239 0.5662 0.7900 0.062 Uiso calc 1 . .
N N14 0.9637(2) 0.85203(19) 0.9401(2) 0.0656(6) Uani d 1 . .
N N15 1.1040(3) 0.8907(2) 1.0131(2) 0.0693(6) Uani d 1 . .
N N16 1.2312(3) 0.9373(3) 1.0751(3) 0.1029(10) Uani d 1 . .
N N31 -0.06215(19) 0.16164(16) 0.66089(17) 0.0471(4) Uani d 1 . .
N N32 -0.0398(2) 0.05926(17) 0.68563(18) 0.0511(5) Uani d 1 . .
C C33 0.1109(2) 0.0864(2) 0.7460(2) 0.0469(5) Uani d 1 . .
C C34 0.1897(2) 0.20522(19) 0.7604(2) 0.0433(5) Uani d 1 . .
C C35 0.0727(2) 0.24912(19) 0.7052(2) 0.0442(5) Uani d 1 . .
C C311 -0.2141(2) 0.1559(2) 0.5825(2) 0.0471(5) Uani d 1 . .
C C312 -0.2664(3) 0.2627(2) 0.6210(3) 0.0611(6) Uani d 1 . .
H H312 -0.2034 0.3406 0.6988 0.073 Uiso calc 1 . .
C C313 -0.4142(3) 0.2524(3) 0.5418(3) 0.0711(7) Uani d 1 . .
H H313 -0.4506 0.3239 0.5667 0.085 Uiso calc 1 . .
C C314 -0.5075(3) 0.1371(3) 0.4269(3) 0.0735(7) Uani d 1 . .
H H314 -0.6063 0.1312 0.3741 0.088 Uiso calc 1 . .
C C315 -0.4550(3) 0.0308(3) 0.3900(3) 0.0719(7) Uani d 1 . .
H H315 -0.5184 -0.0472 0.3124 0.086 Uiso calc 1 . .
C C316 -0.3082(3) 0.0397(2) 0.4679(2) 0.0578(6) Uani d 1 . .
H H316 -0.2728 -0.0324 0.4433 0.069 Uiso calc 1 . .
C C331 0.1796(3) -0.0017(2) 0.7929(3) 0.0645(6) Uani d 1 . .
H H33A 0.1019 -0.0622 0.7896 0.097 Uiso calc 1 . .
H H33B 0.2587 0.0498 0.8829 0.097 Uiso calc 1 . .
H H33C 0.2225 -0.0495 0.7365 0.097 Uiso calc 1 . .
O O351 0.07382(17) 0.36198(13) 0.69897(15) 0.0522(4) Uani d 1 . .
C C351 0.1292(2) 0.38472(19) 0.6168(2) 0.0434(5) Uani d 1 . .
C C352 0.1738(2) 0.5152(2) 0.6479(2) 0.0522(5) Uani d 1 . .
C C353 0.2282(3) 0.5403(3) 0.5678(3) 0.0690(7) Uani d 1 . .
H H353 0.2599 0.6264 0.5855 0.083 Uiso calc 1 . .
C C354 0.2367(3) 0.4418(3) 0.4633(3) 0.0780(8) Uani d 1 . .
H H354 0.2741 0.4618 0.4116 0.094 Uiso calc 1 . .
C C355 0.1900(3) 0.3135(3) 0.4344(3) 0.0699(7) Uani d 1 . .
H H355 0.1952 0.2469 0.3630 0.084 Uiso calc 1 . .
C C356 0.1353(3) 0.2839(2) 0.5119(2) 0.0547(6) Uani d 1 . .
H H356 0.1032 0.1976 0.4934 0.066 Uiso calc 1 . .
C C357 0.1657(4) 0.6222(2) 0.7625(3) 0.0777(8) Uani d 1 . .
H H35A 0.1876 0.7031 0.7608 0.116 Uiso calc 1 . .
H H35B 0.2393 0.6314 0.8446 0.116 Uiso calc 1 . .
H H35C 0.0649 0.6010 0.7559 0.116 Uiso calc 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 C1 C2 . . 120.91(19) ?
O1 C1 C11 . . 119.34(19) ?
C2 C1 C11 . . 119.74(18) ?
C3 C2 C1 . . 120.4(2) ?
C3 C2 H2 . . 119.8 ?
C1 C2 H2 . . 119.8 ?
C2 C3 C34 . . 129.2(2) ?
C2 C3 H3 . . 115.4 ?
C34 C3 H3 . . 115.4 ?
C16 C11 C12 . . 118.03(19) ?
C16 C11 C1 . . 124.29(18) ?
C12 C11 C1 . . 117.66(18) ?
C13 C12 C11 . . 121.75(19) ?
C13 C12 H12 . . 119.1 ?
C11 C12 H12 . . 119.1 ?
C14 C13 C12 . . 119.10(19) ?
C14 C13 H13 . . 120.5 ?
C12 C13 H13 . . 120.5 ?
C13 C14 C15 . . 120.35(19) ?
C13 C14 N14 . . 123.5(2) ?
C15 C14 N14 . . 116.1(2) ?
C16 C15 C14 . . 120.0(2) ?
C16 C15 H15 . . 120.0 ?
C14 C15 H15 . . 120.0 ?
C15 C16 C11 . . 120.80(19) ?
C15 C16 H16 . . 119.6 ?
C11 C16 H16 . . 119.6 ?
N15 N14 C14 . . 116.1(2) ?
N16 N15 N14 . . 171.8(3) ?
C35 N31 N32 . . 111.11(17) ?
C35 N31 C311 . . 129.06(18) ?
N32 N31 C311 . . 119.38(16) ?
C33 N32 N31 . . 104.82(16) ?
N32 C33 C34 . . 112.21(18) ?
N32 C33 C331 . . 120.41(18) ?
C34 C33 C331 . . 127.4(2) ?
C35 C34 C33 . . 103.40(17) ?
C35 C34 C3 . . 131.01(19) ?
C33 C34 C3 . . 125.58(19) ?
N31 C35 O351 . . 119.52(18) ?
N31 C35 C34 . . 108.45(18) ?
O351 C35 C34 . . 131.82(18) ?
C312 C311 C316 . . 120.5(2) ?
C312 C311 N31 . . 121.14(19) ?
C316 C311 N31 . . 118.35(19) ?
C311 C312 C313 . . 119.0(2) ?
C311 C312 H312 . . 120.5 ?
C313 C312 H312 . . 120.5 ?
C314 C313 C312 . . 120.5(2) ?
C314 C313 H313 . . 119.8 ?
C312 C313 H313 . . 119.8 ?
C315 C314 C313 . . 120.1(2) ?
C315 C314 H314 . . 119.9 ?
C313 C314 H314 . . 119.9 ?
C314 C315 C316 . . 120.0(2) ?
C314 C315 H315 . . 120.0 ?
C316 C315 H315 . . 120.0 ?
C315 C316 C311 . . 119.9(2) ?
C315 C316 H316 . . 120.1 ?
C311 C316 H316 . . 120.1 ?
C33 C331 H33A . . 109.5 ?
C33 C331 H33B . . 109.5 ?
H33A C331 H33B . . 109.5 ?
C33 C331 H33C . . 109.5 ?
H33A C331 H33C . . 109.5 ?
H33B C331 H33C . . 109.5 ?
C35 O351 C351 . . 119.16(15) ?
C356 C351 C352 . . 123.0(2) ?
C356 C351 O351 . . 121.83(18) ?
C352 C351 O351 . . 115.11(18) ?
C353 C352 C351 . . 116.3(2) ?
C353 C352 C357 . . 122.0(2) ?
C351 C352 C357 . . 121.7(2) ?
C354 C353 C352 . . 121.9(2) ?
C354 C353 H353 . . 119.1 ?
C352 C353 H353 . . 119.1 ?
C353 C354 C355 . . 120.3(2) ?
C353 C354 H354 . . 119.8 ?
C355 C354 H354 . . 119.8 ?
C354 C355 C356 . . 119.8(3) ?
C354 C355 H355 . . 120.1 ?
C356 C355 H355 . . 120.1 ?
C351 C356 C355 . . 118.7(2) ?
C351 C356 H356 . . 120.7 ?
C355 C356 H356 . . 120.7 ?
C352 C357 H35A . . 109.5 ?
C352 C357 H35B . . 109.5 ?
H35A C357 H35B . . 109.5 ?
C352 C357 H35C . . 109.5 ?
H35A C357 H35C . . 109.5 ?
H35B C357 H35C . . 109.5 ?
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
C1 O1 . 1.226(3) ?
C1 C2 . 1.468(3) ?
C1 C11 . 1.488(3) ?
C2 C3 . 1.334(3) ?
C2 H2 . 0.9300 ?
C3 C34 . 1.440(3) ?
C3 H3 . 0.9300 ?
C11 C16 . 1.389(3) ?
C11 C12 . 1.392(3) ?
C12 C13 . 1.382(3) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.380(3) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.384(3) ?
C14 N14 . 1.422(3) ?
C15 C16 . 1.383(3) ?
C15 H15 . 0.9300 ?
C16 H16 . 0.9300 ?
N14 N15 . 1.245(3) ?
N15 N16 . 1.124(3) ?
N31 C35 . 1.351(3) ?
N31 N32 . 1.378(2) ?
N31 C311 . 1.433(3) ?
N32 C33 . 1.326(3) ?
C33 C34 . 1.426(3) ?
C33 C331 . 1.493(3) ?
C34 C35 . 1.382(3) ?
C35 O351 . 1.358(2) ?
C311 C312 . 1.379(3) ?
C311 C316 . 1.380(3) ?
C312 C313 . 1.386(3) ?
C312 H312 . 0.9300 ?
C313 C314 . 1.375(4) ?
C313 H313 . 0.9300 ?
C314 C315 . 1.373(4) ?
C314 H314 . 0.9300 ?
C315 C316 . 1.379(3) ?
C315 H315 . 0.9300 ?
C316 H316 . 0.9300 ?
C331 H33A . 0.9600 ?
C331 H33B . 0.9600 ?
C331 H33C . 0.9600 ?
O351 C351 . 1.405(2) ?
C351 C356 . 1.377(3) ?
C351 C352 . 1.391(3) ?
C352 C353 . 1.389(3) ?
C352 C357 . 1.493(3) ?
C353 C354 . 1.372(4) ?
C353 H353 . 0.9300 ?
C354 C355 . 1.377(4) ?
C354 H354 . 0.9300 ?
C355 C356 . 1.385(3) ?
C355 H355 . 0.9300 ?
C356 H356 . 0.9300 ?
C357 H35A . 0.9600 ?
C357 H35B . 0.9600 ?
C357 H35C . 0.9600 ?
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
_geom_hbond_publ_flag
C357 H35B O1 2_667 0.96 2.51 3.396(4) 154 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C1 C2 C3 . . . . -0.1(3) ?
C11 C1 C2 C3 . . . . 178.86(19) ?
C1 C2 C3 C34 . . . . -176.53(19) ?
O1 C1 C11 C16 . . . . 164.2(2) ?
C2 C1 C11 C16 . . . . -14.8(3) ?
O1 C1 C11 C12 . . . . -14.2(3) ?
C2 C1 C11 C12 . . . . 166.82(18) ?
C16 C11 C12 C13 . . . . -1.0(3) ?
C1 C11 C12 C13 . . . . 177.49(19) ?
C11 C12 C13 C14 . . . . 0.4(3) ?
C12 C13 C14 C15 . . . . 0.4(3) ?
C12 C13 C14 N14 . . . . -179.8(2) ?
C13 C14 C15 C16 . . . . -0.7(3) ?
N14 C14 C15 C16 . . . . 179.5(2) ?
C14 C15 C16 C11 . . . . 0.1(4) ?
C12 C11 C16 C15 . . . . 0.7(3) ?
C1 C11 C16 C15 . . . . -177.7(2) ?
C13 C14 N14 N15 . . . . -2.7(3) ?
C15 C14 N14 N15 . . . . 177.1(2) ?
C35 N31 N32 C33 . . . . 0.1(2) ?
C311 N31 N32 C33 . . . . 173.08(17) ?
N31 N32 C33 C34 . . . . -0.7(2) ?
N31 N32 C33 C331 . . . . 177.90(19) ?
N32 C33 C34 C35 . . . . 1.0(2) ?
C331 C33 C34 C35 . . . . -177.5(2) ?
N32 C33 C34 C3 . . . . -178.03(18) ?
C331 C33 C34 C3 . . . . 3.5(3) ?
C2 C3 C34 C35 . . . . 0.2(4) ?
C2 C3 C34 C33 . . . . 179.0(2) ?
N32 N31 C35 O351 . . . . -174.87(17) ?
C311 N31 C35 O351 . . . . 13.1(3) ?
N32 N31 C35 C34 . . . . 0.5(2) ?
C311 N31 C35 C34 . . . . -171.57(19) ?
C33 C34 C35 N31 . . . . -0.9(2) ?
C3 C34 C35 N31 . . . . 178.1(2) ?
C33 C34 C35 O351 . . . . 173.7(2) ?
C3 C34 C35 O351 . . . . -7.3(4) ?
C35 N31 C311 C312 . . . . -53.4(3) ?
N32 N31 C311 C312 . . . . 135.1(2) ?
C35 N31 C311 C316 . . . . 127.5(2) ?
N32 N31 C311 C316 . . . . -44.0(3) ?
C316 C311 C312 C313 . . . . -0.9(4) ?
N31 C311 C312 C313 . . . . -180.0(2) ?
C311 C312 C313 C314 . . . . 0.2(4) ?
C312 C313 C314 C315 . . . . 0.4(4) ?
C313 C314 C315 C316 . . . . -0.3(4) ?
C314 C315 C316 C311 . . . . -0.4(4) ?
C312 C311 C316 C315 . . . . 1.0(3) ?
N31 C311 C316 C315 . . . . -179.9(2) ?
N31 C35 O351 C351 . . . . -115.8(2) ?
C34 C35 O351 C351 . . . . 70.1(3) ?
C35 O351 C351 C356 . . . . 21.6(3) ?
C35 O351 C351 C352 . . . . -159.61(18) ?
C356 C351 C352 C353 . . . . -1.0(3) ?
O351 C351 C352 C353 . . . . -179.69(19) ?
C356 C351 C352 C357 . . . . 180.0(2) ?
O351 C351 C352 C357 . . . . 1.3(3) ?
C351 C352 C353 C354 . . . . 0.4(4) ?
C357 C352 C353 C354 . . . . 179.4(3) ?
C352 C353 C354 C355 . . . . 0.3(4) ?
C353 C354 C355 C356 . . . . -0.4(4) ?
C352 C351 C356 C355 . . . . 0.8(3) ?
O351 C351 C356 C355 . . . . 179.5(2) ?
C354 C355 C356 C351 . . . . -0.1(4) ?

_cod_database_fobs_code 2243367
