#------------------------------------------------------------------------------
#$Date: 2025-08-21 13:21:36 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301847 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/41/7014146.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_7014146
loop_
_publ_author_name
'Monkowius, Uwe V.'
'Nogai, Stefan'
'Schmidbaur, Hubert'
_publ_section_title
;
 Unsuccessful/successful attempts to produce
 penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl,
 2-thienyl).
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1610
_journal_page_last               1617
_journal_paper_doi               10.1039/b401988a
_journal_year                    2004
_chemical_formula_sum            'C25 H22 N O5 P S'
_chemical_formula_weight         479.47
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.7150(3)
_cell_length_b                   14.8630(3)
_cell_length_c                   18.1350(2)
_cell_measurement_reflns_used    58111
_cell_measurement_temperature    143(2)
_cell_volume                     4505.37(13)
_computing_cell_refinement       DENZO
_computing_data_collection       XPRESS
_computing_data_reduction        SCALEPACK
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      143(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'NONIUS DIP 2020'
_diffrn_measurement_method       phi-rotation
_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  0.032
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            58111
_diffrn_reflns_theta_full        27.72
_diffrn_reflns_theta_max         27.72
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    0.253
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2000
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.188
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     386
_refine_ls_number_reflns         5245
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0524P)²+2.1205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.0997
_reflns_number_gt                5036
_reflns_number_total             5245
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b401988a.txt
_cod_data_source_block           uwe19
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7014146
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.220676(19) 0.41947(2) 0.397578(18) 0.02064(10) Uani 1 1 d . . .
S1 S 0.135328(19) 0.29917(2) 0.306953(18) 0.02322(10) Uani 1 1 d . . .
O1 O 0.21728(5) 0.52289(6) 0.41523(5) 0.0243(2) Uani 1 1 d . . .
O3 O 0.30958(6) 0.40552(7) 0.37345(5) 0.0243(2) Uani 1 1 d . . .
O2 O 0.21677(5) 0.36581(7) 0.47194(5) 0.0247(2) Uani 1 1 d . . .
O5 O 0.20290(6) 0.23937(7) 0.31428(6) 0.0310(2) Uani 1 1 d . . .
O4 O 0.05906(6) 0.26549(8) 0.33126(6) 0.0341(2) Uani 1 1 d . . .
C21 C 0.27537(7) 0.37053(9) 0.52879(7) 0.0224(3) Uani 1 1 d . . .
C31 C 0.34166(7) 0.43647(9) 0.30545(7) 0.0213(3) Uani 1 1 d . . .
C41 C 0.12555(8) 0.32887(8) 0.21300(8) 0.0220(3) Uani 1 1 d . . .
C36 C 0.35291(8) 0.37373(9) 0.25022(8) 0.0243(3) Uani 1 1 d . . .
C42 C 0.06113(8) 0.38218(9) 0.19178(8) 0.0255(3) Uani 1 1 d . . .
C12 C 0.12957(9) 0.62999(10) 0.35881(9) 0.0289(3) Uani 1 1 d . . .
C44 C 0.10846(9) 0.37940(9) 0.06558(8) 0.0261(3) Uani 1 1 d . . .
C32 C 0.36533(9) 0.52529(10) 0.29874(8) 0.0262(3) Uani 1 1 d . . .
C46 C 0.18142(8) 0.29998(9) 0.16125(8) 0.0271(3) Uani 1 1 d . . .
C16 C 0.09677(9) 0.56769(10) 0.47832(8) 0.0275(3) Uani 1 1 d . . .
C11 C 0.14569(8) 0.57333(9) 0.41726(7) 0.0220(3) Uani 1 1 d . . .
C26 C 0.34349(8) 0.31845(9) 0.52327(8) 0.0260(3) Uani 1 1 d . . .
C35 C 0.39166(8) 0.40077(10) 0.18615(8) 0.0264(3) Uani 1 1 d . . .
C43 C 0.05263(9) 0.40637(10) 0.11834(8) 0.0279(3) Uani 1 1 d . . .
N1 N 0.15164(7) 0.39468(8) 0.34467(7) 0.0263(2) Uani 1 1 d . . .
C25 C 0.39730(9) 0.31956(10) 0.58172(9) 0.0307(3) Uani 1 1 d . . .
C15 C 0.02798(9) 0.62022(10) 0.48063(9) 0.0330(3) Uani 1 1 d . . .
C34 C 0.41839(8) 0.48868(10) 0.17870(7) 0.0258(3) Uani 1 1 d . . .
C45 C 0.17240(9) 0.32642(10) 0.08798(8) 0.0288(3) Uani 1 1 d . . .
C33 C 0.40436(9) 0.55070(10) 0.23422(8) 0.0279(3) Uani 1 1 d . . .
C13 C 0.06036(10) 0.68165(10) 0.36177(10) 0.0357(3) Uani 1 1 d . . .
C23 C 0.31337(11) 0.42273(11) 0.64786(9) 0.0363(3) Uani 1 1 d . . .
C14 C 0.00966(9) 0.67665(10) 0.42191(10) 0.0350(3) Uani 1 1 d . . .
C24 C 0.38226(10) 0.37137(11) 0.64386(9) 0.0348(3) Uani 1 1 d . . .
C47 C 0.09945(11) 0.40733(13) -0.01360(9) 0.0377(4) Uani 1 1 d . . .
C22 C 0.25882(10) 0.42262(10) 0.58991(8) 0.0302(3) Uani 1 1 d . . .
H46 H 0.2253(11) 0.2610(13) 0.1764(10) 0.034(5) Uiso 1 1 d . . .
H42 H 0.0235(11) 0.4033(12) 0.2286(10) 0.032(4) Uiso 1 1 d . . .
H45 H 0.2127(12) 0.3057(14) 0.0526(12) 0.044(5) Uiso 1 1 d . . .
H26 H 0.3535(11) 0.2829(13) 0.4805(11) 0.035(5) Uiso 1 1 d . . .
H36 H 0.3341(11) 0.3125(12) 0.2579(10) 0.032(4) Uiso 1 1 d . . .
H25 H 0.4454(11) 0.2837(13) 0.5789(10) 0.036(5) Uiso 1 1 d . . .
H22 H 0.2087(12) 0.4577(14) 0.5919(11) 0.041(5) Uiso 1 1 d . . .
H33 H 0.4218(12) 0.6112(13) 0.2288(10) 0.037(5) Uiso 1 1 d . . .
H43 H 0.0058(12) 0.4431(14) 0.1026(10) 0.042(5) Uiso 1 1 d . . .
H34 H 0.4483(11) 0.5060(13) 0.1360(10) 0.038(5) Uiso 1 1 d . . .
H32 H 0.3545(11) 0.5699(13) 0.3380(11) 0.036(5) Uiso 1 1 d . . .
H35 H 0.4011(12) 0.3563(14) 0.1489(11) 0.044(5) Uiso 1 1 d . . .
H12 H 0.1681(12) 0.6341(13) 0.3190(11) 0.037(5) Uiso 1 1 d . . .
H16 H 0.1096(12) 0.5277(13) 0.5182(11) 0.041(5) Uiso 1 1 d . . .
H15 H -0.0055(11) 0.6162(13) 0.5234(10) 0.037(5) Uiso 1 1 d . . .
H14 H -0.0376(13) 0.7112(14) 0.4241(11) 0.045(5) Uiso 1 1 d . . .
H23 H 0.3023(13) 0.4604(14) 0.6918(12) 0.047(6) Uiso 1 1 d . . .
H24 H 0.4212(13) 0.3706(15) 0.6852(12) 0.050(6) Uiso 1 1 d . . .
H13 H 0.0476(13) 0.7232(15) 0.3198(12) 0.055(6) Uiso 1 1 d . . .
H47A H 0.1150(14) 0.4713(17) -0.0208(13) 0.063(7) Uiso 1 1 d . . .
H47B H 0.0434(17) 0.4094(17) -0.0288(14) 0.076(8) Uiso 1 1 d . . .
H47C H 0.1274(18) 0.365(2) -0.0455(17) 0.093(10) Uiso 1 1 d . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N1 P1 O3 120.30(6) . . ?
N1 P1 O2 112.44(6) . . ?
O3 P1 O2 102.30(5) . . ?
N1 P1 O1 109.44(6) . . ?
O3 P1 O1 102.78(5) . . ?
O2 P1 O1 108.71(6) . . ?
O4 S1 O5 116.80(7) . . ?
O4 S1 N1 109.20(7) . . ?
O5 S1 N1 111.95(6) . . ?
O4 S1 C41 107.48(6) . . ?
O5 S1 C41 108.35(6) . . ?
N1 S1 C41 101.91(6) . . ?
C11 O1 P1 123.72(8) . . ?
C31 O3 P1 123.97(8) . . ?
C21 O2 P1 124.68(8) . . ?
C22 C21 C26 122.55(13) . . ?
C22 C21 O2 118.12(12) . . ?
C26 C21 O2 119.17(12) . . ?
C36 C31 C32 122.78(12) . . ?
C36 C31 O3 117.52(12) . . ?
C32 C31 O3 119.54(12) . . ?
C42 C41 C46 120.57(13) . . ?
C42 C41 S1 118.71(10) . . ?
C46 C41 S1 120.72(10) . . ?
C31 C36 C35 118.33(13) . . ?
C31 C36 H36 118.9(11) . . ?
C35 C36 H36 122.7(11) . . ?
C43 C42 C41 119.51(13) . . ?
C43 C42 H42 120.7(11) . . ?
C41 C42 H42 119.8(11) . . ?
C11 C12 C13 118.04(14) . . ?
C11 C12 H12 118.7(12) . . ?
C13 C12 H12 123.1(12) . . ?
C45 C44 C43 118.50(13) . . ?
C45 C44 C47 120.90(14) . . ?
C43 C44 C47 120.60(14) . . ?
C31 C32 C33 117.83(13) . . ?
C31 C32 H32 121.6(11) . . ?
C33 C32 H32 120.6(11) . . ?
C41 C46 C45 118.90(13) . . ?
C41 C46 H46 119.9(11) . . ?
C45 C46 H46 121.2(11) . . ?
C11 C16 C15 118.71(14) . . ?
C11 C16 H16 120.7(12) . . ?
C15 C16 H16 120.6(12) . . ?
C16 C11 C12 122.54(13) . . ?
C16 C11 O1 119.40(12) . . ?
C12 C11 O1 117.98(12) . . ?
C21 C26 C25 118.15(13) . . ?
C21 C26 H26 121.0(11) . . ?
C25 C26 H26 120.8(11) . . ?
C34 C35 C36 120.26(13) . . ?
C34 C35 H35 121.9(12) . . ?
C36 C35 H35 117.8(12) . . ?
C42 C43 C44 121.03(13) . . ?
C42 C43 H43 119.8(11) . . ?
C44 C43 H43 119.1(11) . . ?
P1 N1 S1 127.19(8) . . ?
C24 C25 C26 120.55(14) . . ?
C24 C25 H25 120.0(11) . . ?
C26 C25 H25 119.5(11) . . ?
C14 C15 C16 119.87(15) . . ?
C14 C15 H15 121.9(11) . . ?
C16 C15 H15 118.2(11) . . ?
C33 C34 C35 120.09(13) . . ?
C33 C34 H34 119.9(11) . . ?
C35 C34 H34 120.0(11) . . ?
C44 C45 C46 121.48(13) . . ?
C44 C45 H45 121.1(12) . . ?
C46 C45 H45 117.5(12) . . ?
C34 C33 C32 120.66(13) . . ?
C34 C33 H33 120.2(11) . . ?
C32 C33 H33 119.2(11) . . ?
C14 C13 C12 120.72(14) . . ?
C14 C13 H13 120.0(13) . . ?
C12 C13 H13 119.2(13) . . ?
C24 C23 C22 120.34(15) . . ?
C24 C23 H23 120.6(12) . . ?
C22 C23 H23 119.0(12) . . ?
C13 C14 C15 120.11(14) . . ?
C13 C14 H14 121.1(12) . . ?
C15 C14 H14 118.8(13) . . ?
C23 C24 C25 119.98(14) . . ?
C23 C24 H24 120.8(13) . . ?
C25 C24 H24 119.2(13) . . ?
C44 C47 H47A 111.3(14) . . ?
C44 C47 H47B 112.0(16) . . ?
H47A C47 H47B 101(2) . . ?
C44 C47 H47C 110.0(18) . . ?
H47A C47 H47C 115(2) . . ?
H47B C47 H47C 108(2) . . ?
C21 C22 C23 118.43(14) . . ?
C21 C22 H22 119.6(11) . . ?
C23 C22 H22 121.9(11) . . ?
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
P1 N1 1.5453(12) . ?
P1 O3 1.5630(10) . ?
P1 O2 1.5680(10) . ?
P1 O1 1.5712(10) . ?
S1 O4 1.4387(10) . ?
S1 O5 1.4434(10) . ?
S1 N1 1.5993(12) . ?
S1 C41 1.7677(14) . ?
O1 C11 1.4126(15) . ?
O3 C31 1.4211(15) . ?
O2 C21 1.4238(15) . ?
C21 C22 1.380(2) . ?
C21 C26 1.3804(18) . ?
C31 C36 1.3813(19) . ?
C31 C32 1.3835(19) . ?
C41 C42 1.3912(18) . ?
C41 C46 1.3918(19) . ?
C36 C35 1.390(2) . ?
C36 H36 0.972(18) . ?
C42 C43 1.387(2) . ?
C42 H42 0.969(18) . ?
C12 C11 1.3803(19) . ?
C12 C13 1.390(2) . ?
C12 H12 0.97(2) . ?
C44 C45 1.388(2) . ?
C44 C43 1.395(2) . ?
C44 C47 1.502(2) . ?
C32 C33 1.3920(19) . ?
C32 H32 0.99(2) . ?
C46 C45 1.394(2) . ?
C46 H46 0.974(18) . ?
C16 C11 1.3792(19) . ?
C16 C15 1.390(2) . ?
C16 H16 0.96(2) . ?
C26 C25 1.390(2) . ?
C26 H26 0.95(2) . ?
C35 C34 1.388(2) . ?
C35 H35 0.96(2) . ?
C43 H43 1.00(2) . ?
C25 C24 1.388(2) . ?
C25 H25 0.966(19) . ?
C15 C14 1.390(2) . ?
C15 H15 0.959(19) . ?
C34 C33 1.3851(19) . ?
C34 H34 0.958(19) . ?
C45 H45 0.98(2) . ?
C33 H33 0.951(19) . ?
C13 C14 1.383(3) . ?
C13 H13 1.00(2) . ?
C23 C24 1.383(2) . ?
C23 C22 1.391(2) . ?
C23 H23 0.99(2) . ?
C14 H14 0.94(2) . ?
C24 H24 0.99(2) . ?
C47 H47A 0.99(3) . ?
C47 H47B 0.98(3) . ?
C47 H47C 0.97(3) . ?
C22 H22 0.99(2) . ?
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
N1 P1 O1 C11 30.66(12) . . . . ?
O3 P1 O1 C11 159.61(10) . . . . ?
O2 P1 O1 C11 -92.49(11) . . . . ?
N1 P1 O3 C31 49.85(13) . . . . ?
O2 P1 O3 C31 175.28(10) . . . . ?
O1 P1 O3 C31 -72.01(11) . . . . ?
N1 P1 O2 C21 175.65(10) . . . . ?
O3 P1 O2 C21 45.21(11) . . . . ?
O1 P1 O2 C21 -63.01(11) . . . . ?
P1 O2 C21 C22 101.58(14) . . . . ?
P1 O2 C21 C26 -82.90(14) . . . . ?
P1 O3 C31 C36 -102.87(13) . . . . ?
P1 O3 C31 C32 81.58(15) . . . . ?
O4 S1 C41 C42 49.16(12) . . . . ?
O5 S1 C41 C42 176.20(11) . . . . ?
N1 S1 C41 C42 -65.60(12) . . . . ?
O4 S1 C41 C46 -131.22(11) . . . . ?
O5 S1 C41 C46 -4.18(13) . . . . ?
N1 S1 C41 C46 114.02(11) . . . . ?
C32 C31 C36 C35 1.8(2) . . . . ?
O3 C31 C36 C35 -173.56(12) . . . . ?
C46 C41 C42 C43 0.2(2) . . . . ?
S1 C41 C42 C43 179.81(11) . . . . ?
C36 C31 C32 C33 -2.1(2) . . . . ?
O3 C31 C32 C33 173.16(12) . . . . ?
C42 C41 C46 C45 0.9(2) . . . . ?
S1 C41 C46 C45 -178.71(11) . . . . ?
C15 C16 C11 C12 0.9(2) . . . . ?
C15 C16 C11 O1 177.71(12) . . . . ?
C13 C12 C11 C16 -1.3(2) . . . . ?
C13 C12 C11 O1 -178.11(12) . . . . ?
P1 O1 C11 C16 78.30(15) . . . . ?
P1 O1 C11 C12 -104.75(13) . . . . ?
C22 C21 C26 C25 -0.4(2) . . . . ?
O2 C21 C26 C25 -175.75(12) . . . . ?
C31 C36 C35 C34 0.3(2) . . . . ?
C41 C42 C43 C44 -1.2(2) . . . . ?
C45 C44 C43 C42 1.0(2) . . . . ?
C47 C44 C43 C42 -178.92(14) . . . . ?
O3 P1 N1 S1 56.42(12) . . . . ?
O2 P1 N1 S1 -64.11(11) . . . . ?
O1 P1 N1 S1 174.97(8) . . . . ?
O4 S1 N1 P1 118.20(10) . . . . ?
O5 S1 N1 P1 -12.73(12) . . . . ?
C41 S1 N1 P1 -128.32(10) . . . . ?
C21 C26 C25 C24 0.4(2) . . . . ?
C11 C16 C15 C14 0.3(2) . . . . ?
C36 C35 C34 C33 -2.0(2) . . . . ?
C43 C44 C45 C46 0.2(2) . . . . ?
C47 C44 C45 C46 -179.94(14) . . . . ?
C41 C46 C45 C44 -1.1(2) . . . . ?
C35 C34 C33 C32 1.7(2) . . . . ?
C31 C32 C33 C34 0.3(2) . . . . ?
C11 C12 C13 C14 0.5(2) . . . . ?
C12 C13 C14 C15 0.6(2) . . . . ?
C16 C15 C14 C13 -1.0(2) . . . . ?
C22 C23 C24 C25 0.1(2) . . . . ?
C26 C25 C24 C23 -0.2(2) . . . . ?
C26 C21 C22 C23 0.4(2) . . . . ?
O2 C21 C22 C23 175.72(13) . . . . ?
C24 C23 C22 C21 -0.2(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21145504
2 PubChem 13352509
