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#$Date: 2025-08-18 16:20:24 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301776 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/28/1512871.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_1512871
loop_
_publ_author_name
'Harri Sopo'
'Ari Väisänen'
'Reijo Sillanpää'
_publ_section_title
;
 Uranyl ion complexes with long chain aminoalcoholbis(phenolate)
 [O,N,O,O′] donor ligands
;
_journal_issue                   1
_journal_name_full               Polyhedron
_journal_page_first              184
_journal_page_last               196
_journal_paper_doi               10.1016/j.poly.2006.08.006
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C44 H60 N2 O8 U, 2(c2 H3 N)'
_chemical_formula_sum            'C48 H66 N4 O8 U'
_chemical_formula_weight         1065.08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                74.9760(10)
_cell_angle_beta                 69.6940(10)
_cell_angle_gamma                79.2650(10)
_cell_formula_units_Z            1
_cell_length_a                   8.8922(2)
_cell_length_b                   11.7134(2)
_cell_length_c                   12.2525(3)
_cell_measurement_reflns_used    3920
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.283
_cell_measurement_theta_min      0.407
_cell_volume                     1149.42(4)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor 1997)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0416
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14606
_diffrn_reflns_theta_full        28.15
_diffrn_reflns_theta_max         28.15
_diffrn_reflns_theta_min         2.73
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    3.587
_exptl_absorpt_correction_T_max  0.8809
_exptl_absorpt_correction_T_min  0.6022
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Sheldrick, G.M. (anon) SHELX97 Release 97-2 (1998)
I/sigma threshold for reflections     =   5.000
Delta(U)/lambda**2                    =   0.000
Highest even order spherical harmonic =       6
Highest odd  order spherical harmonic =       3
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             538
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.488
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         5568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0292
_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)+(0.0000P)²+1.9317P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0593
_reflns_number_gt                5563
_reflns_number_total             5568
_reflns_threshold_expression     >2s(I)
_cod_data_source_file            2007-184_RS.txt
_cod_data_source_block           SoC1-1=1b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512871
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
U U 0.0000 0.0000 0.0000 0.01742(5) Uani 1 2 d S
O1 O -0.2006(3) 0.07623(18) 0.0180(2) 0.0260(5) Uani 1 1 d .
O2 O 0.0869(3) 0.12083(19) -0.17407(19) 0.0282(5) Uani 1 1 d .
O3 O 0.0681(2) 0.14393(17) 0.06630(19) 0.0222(4) Uani 1 1 d .
O4 O 0.0842(3) 0.6381(2) 0.0063(3) 0.0418(7) Uani 1 1 d .
H4 H 0.066(5) 0.704(4) -0.020(4) 0.051(14) Uiso 1 1 d .
N1 N 0.2679(5) 0.6334(4) -0.4196(4) 0.0622(11) Uani 1 1 d .
N8 N 0.3406(3) 0.2277(2) -0.1214(2) 0.0189(5) Uani 1 1 d .
H8 H 0.234(4) 0.225(3) -0.090(3) 0.016(8) Uiso 1 1 d .
C1 C 0.1336(4) 0.2012(2) -0.2754(3) 0.0216(6) Uani 1 1 d .
C2 C 0.0319(4) 0.2490(3) -0.3452(3) 0.0245(6) Uani 1 1 d .
C3 C 0.0888(4) 0.3304(3) -0.4511(3) 0.0278(7) Uani 1 1 d .
H3 H 0.0199 0.3628 -0.4984 0.033 Uiso 1 1 calc R
C4 C 0.2432(4) 0.3666(3) -0.4907(3) 0.0280(7) Uani 1 1 d .
C5 C 0.3402(4) 0.3201(3) -0.4188(3) 0.0245(6) Uani 1 1 d .
H5 H 0.4446 0.3451 -0.4427 0.029 Uiso 1 1 calc R
C6 C 0.2886(4) 0.2381(2) -0.3130(3) 0.0205(6) Uani 1 1 d .
C7 C 0.3954(4) 0.1830(3) -0.2368(3) 0.0228(6) Uani 1 1 d .
H7A H 0.5073 0.2015 -0.2822 0.027 Uiso 1 1 calc R
H7B H 0.3953 0.0956 -0.2177 0.027 Uiso 1 1 calc R
C9 C 0.4101(4) 0.1412(3) -0.0314(3) 0.0216(6) Uani 1 1 d .
H9A H 0.4146 0.0597 -0.0426 0.026 Uiso 1 1 calc R
H9B H 0.5223 0.1574 -0.0485 0.026 Uiso 1 1 calc R
C10 C 0.3190(4) 0.1444(2) 0.0975(3) 0.0201(6) Uani 1 1 d .
C11 C 0.4035(4) 0.1387(3) 0.1753(3) 0.0243(6) Uani 1 1 d .
H11 H 0.5164 0.1442 0.1444 0.029 Uiso 1 1 calc R
C12 C 0.3274(4) 0.1251(3) 0.2977(3) 0.0288(7) Uani 1 1 d .
C13 C 0.1615(4) 0.1197(3) 0.3394(3) 0.0303(7) Uani 1 1 d .
H13 H 0.1071 0.1119 0.4223 0.036 Uiso 1 1 calc R
C14 C 0.0716(4) 0.1253(3) 0.2644(3) 0.0264(7) Uani 1 1 d .
C15 C 0.1517(4) 0.1376(2) 0.1415(3) 0.0206(6) Uani 1 1 d .
C16 C 0.3835(4) 0.3522(3) -0.1481(3) 0.0236(6) Uani 1 1 d .
H16A H 0.3571 0.3972 -0.2207 0.028 Uiso 1 1 calc R
H16B H 0.5015 0.3490 -0.1659 0.028 Uiso 1 1 calc R
C17 C 0.2994(4) 0.4201(2) -0.0492(3) 0.0230(6) Uani 1 1 d .
H17A H 0.3290 0.3786 0.0231 0.028 Uiso 1 1 calc R
H17B H 0.1811 0.4233 -0.0293 0.028 Uiso 1 1 calc R
C18 C 0.3489(4) 0.5468(3) -0.0889(3) 0.0276(7) Uani 1 1 d .
H18A H 0.4644 0.5433 -0.0975 0.033 Uiso 1 1 calc R
H18B H 0.3350 0.5833 -0.1678 0.033 Uiso 1 1 calc R
C19 C 0.2501(4) 0.6241(3) -0.0012(3) 0.0324(8) Uani 1 1 d .
H19A H 0.2615 0.5872 0.0783 0.039 Uiso 1 1 calc R
H19B H 0.2909 0.7031 -0.0271 0.039 Uiso 1 1 calc R
C20 C -0.1358(4) 0.2108(3) -0.3040(3) 0.0342(8) Uani 1 1 d .
H20A H -0.1969 0.2317 -0.2269 0.051 Uiso 1 1 calc R
H20B H -0.1284 0.1247 -0.2958 0.051 Uiso 1 1 calc R
H20C H -0.1908 0.2515 -0.3625 0.051 Uiso 1 1 calc R
C21 C 0.3043(5) 0.4499(3) -0.6093(3) 0.0408(9) Uani 1 1 d .
H21A H 0.3854 0.4945 -0.6067 0.061 Uiso 1 1 calc R
H21B H 0.2143 0.5054 -0.6266 0.061 Uiso 1 1 calc R
H21C H 0.3529 0.4039 -0.6718 0.061 Uiso 1 1 calc R
C22 C 0.4229(5) 0.1110(4) 0.3817(3) 0.0444(10) Uani 1 1 d .
H22A H 0.3491 0.1200 0.4605 0.067 Uiso 1 1 calc R
H22B H 0.4981 0.1718 0.3513 0.067 Uiso 1 1 calc R
H22C H 0.4835 0.0319 0.3881 0.067 Uiso 1 1 calc R
C23 C -0.1069(4) 0.1130(3) 0.3124(3) 0.0381(8) Uani 1 1 d .
H23A H -0.1257 0.0364 0.3040 0.057 Uiso 1 1 calc R
H23B H -0.1636 0.1775 0.2677 0.057 Uiso 1 1 calc R
H23C H -0.1473 0.1172 0.3967 0.057 Uiso 1 1 calc R
C24 C 0.1603(5) 0.5987(3) -0.3436(4) 0.0393(8) Uani 1 1 d .
C25 C 0.0211(5) 0.5554(4) -0.2467(4) 0.0482(10) Uani 1 1 d .
H25A H 0.0334 0.5571 -0.1707 0.072 Uiso 1 1 calc R
H25B H 0.0124 0.4736 -0.2481 0.072 Uiso 1 1 calc R
H25C H -0.0766 0.6061 -0.2559 0.072 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 0.0033 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'
U U -9.6767 9.6646 '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
O1 U O1 180.00(15) 2 .
O1 U O2 90.57(9) 2 .
O1 U O2 89.43(9) . .
O1 U O2 89.43(9) 2 2
O1 U O2 90.57(9) . 2
O2 U O2 180.0 . 2
O1 U O3 90.39(8) 2 2
O1 U O3 89.61(8) . 2
O2 U O3 97.48(8) . 2
O2 U O3 82.52(8) 2 2
O1 U O3 89.61(8) 2 .
O1 U O3 90.39(8) . .
O2 U O3 82.52(8) . .
O2 U O3 97.48(8) 2 .
O3 U O3 180.00(9) 2 .
C1 O2 U 175.5(2) . .
C15 O3 U 132.19(17) . .
C19 O4 H4 105(3) . .
C16 N8 C9 114.2(2) . .
C16 N8 C7 109.2(2) . .
C9 N8 C7 109.7(2) . .
C16 N8 H8 111(2) . .
C9 N8 H8 105(2) . .
C7 N8 H8 108(2) . .
O2 C1 C2 121.4(3) . .
O2 C1 C6 119.1(3) . .
C2 C1 C6 119.4(3) . .
C3 C2 C1 118.7(3) . .
C3 C2 C20 121.8(3) . .
C1 C2 C20 119.5(3) . .
C2 C3 C4 122.7(3) . .
C2 C3 H3 118.7 . .
C4 C3 H3 118.7 . .
C5 C4 C3 117.6(3) . .
C5 C4 C21 121.2(3) . .
C3 C4 C21 121.2(3) . .
C4 C5 C6 121.7(3) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C5 C6 C1 120.0(3) . .
C5 C6 C7 122.2(3) . .
C1 C6 C7 117.8(3) . .
C6 C7 N8 112.3(2) . .
C6 C7 H7A 109.1 . .
N8 C7 H7A 109.1 . .
C6 C7 H7B 109.1 . .
N8 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
C10 C9 N8 115.5(2) . .
C10 C9 H9A 108.4 . .
N8 C9 H9A 108.4 . .
C10 C9 H9B 108.4 . .
N8 C9 H9B 108.4 . .
H9A C9 H9B 107.5 . .
C11 C10 C15 119.9(3) . .
C11 C10 C9 119.6(3) . .
C15 C10 C9 120.0(3) . .
C10 C11 C12 121.8(3) . .
C10 C11 H11 119.1 . .
C12 C11 H11 119.1 . .
C13 C12 C11 117.4(3) . .
C13 C12 C22 121.5(3) . .
C11 C12 C22 121.0(3) . .
C12 C13 C14 122.7(3) . .
C12 C13 H13 118.7 . .
C14 C13 H13 118.7 . .
C13 C14 C15 118.7(3) . .
C13 C14 C23 121.7(3) . .
C15 C14 C23 119.5(3) . .
O3 C15 C10 120.3(3) . .
O3 C15 C14 120.2(3) . .
C10 C15 C14 119.5(3) . .
N8 C16 C17 115.1(2) . .
N8 C16 H16A 108.5 . .
C17 C16 H16A 108.5 . .
N8 C16 H16B 108.5 . .
C17 C16 H16B 108.5 . .
H16A C16 H16B 107.5 . .
C16 C17 C18 110.0(2) . .
C16 C17 H17A 109.7 . .
C18 C17 H17A 109.7 . .
C16 C17 H17B 109.7 . .
C18 C17 H17B 109.7 . .
H17A C17 H17B 108.2 . .
C19 C18 C17 112.2(3) . .
C19 C18 H18A 109.2 . .
C17 C18 H18A 109.2 . .
C19 C18 H18B 109.2 . .
C17 C18 H18B 109.2 . .
H18A C18 H18B 107.9 . .
O4 C19 C18 110.4(3) . .
O4 C19 H19A 109.6 . .
C18 C19 H19A 109.6 . .
O4 C19 H19B 109.6 . .
C18 C19 H19B 109.6 . .
H19A C19 H19B 108.1 . .
C2 C20 H20A 109.5 . .
C2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C4 C21 H21A 109.5 . .
C4 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C4 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C12 C22 H22A 109.5 . .
C12 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C12 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C14 C23 H23A 109.5 . .
C14 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C14 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N1 C24 C25 179.3(5) . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U O1 1.807(2) 2
U O1 1.807(2) .
U O2 2.202(2) .
U O2 2.202(2) 2
U O3 2.3025(19) 2
U O3 2.3025(19) .
O2 C1 1.335(3) .
O3 C15 1.351(4) .
O4 C19 1.427(4) .
O4 H4 0.77(4) .
N1 C24 1.131(5) .
N8 C16 1.501(4) .
N8 C9 1.511(4) .
N8 C7 1.524(4) .
N8 H8 0.89(3) .
C1 C2 1.401(4) .
C1 C6 1.406(4) .
C2 C3 1.390(4) .
C2 C20 1.512(4) .
C3 C4 1.395(5) .
C3 H3 0.9500 .
C4 C5 1.385(4) .
C4 C21 1.508(4) .
C5 C6 1.386(4) .
C5 H5 0.9500 .
C6 C7 1.504(4) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C9 C10 1.511(4) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.388(4) .
C10 C15 1.405(4) .
C11 C12 1.394(4) .
C11 H11 0.9500 .
C12 C13 1.392(5) .
C12 C22 1.509(5) .
C13 C14 1.395(5) .
C13 H13 0.9500 .
C14 C15 1.406(4) .
C14 C23 1.510(5) .
C16 C17 1.520(4) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.534(4) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.517(4) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.449(6) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 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
O4 H4 O3 0.77(4) 2.02(4) 2.742(3) 158(5) 2_565
N8 H8 O3 0.89(3) 2.09(3) 2.823(3) 139(3) .
N8 H8 O2 0.89(3) 2.54(3) 3.091(3) 120(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
O1 U O2 C1 -131(3) 2
O1 U O2 C1 49(3) .
O2 U O2 C1 115(63) 2
O3 U O2 C1 138(3) 2
O3 U O2 C1 -42(3) .
O1 U O3 C15 -42.5(3) 2
O1 U O3 C15 137.5(3) .
O2 U O3 C15 -133.1(3) .
O2 U O3 C15 46.9(3) 2
O3 U O3 C15 106(100) 2
U O2 C1 C2 -82(3) .
U O2 C1 C6 98(3) .
O2 C1 C2 C3 -178.6(3) .
C6 C1 C2 C3 1.1(4) .
O2 C1 C2 C20 1.3(4) .
C6 C1 C2 C20 -179.0(3) .
C1 C2 C3 C4 0.0(5) .
C20 C2 C3 C4 -179.9(3) .
C2 C3 C4 C5 -1.4(5) .
C2 C3 C4 C21 176.6(3) .
C3 C4 C5 C6 1.8(5) .
C21 C4 C5 C6 -176.2(3) .
C4 C5 C6 C1 -0.8(5) .
C4 C5 C6 C7 177.3(3) .
O2 C1 C6 C5 179.0(3) .
C2 C1 C6 C5 -0.7(4) .
O2 C1 C6 C7 0.8(4) .
C2 C1 C6 C7 -178.8(3) .
C5 C6 C7 N8 109.5(3) .
C1 C6 C7 N8 -72.4(3) .
C16 N8 C7 C6 -74.4(3) .
C9 N8 C7 C6 159.8(2) .
C16 N8 C9 C10 80.5(3) .
C7 N8 C9 C10 -156.6(2) .
N8 C9 C10 C11 -137.4(3) .
N8 C9 C10 C15 50.9(4) .
C15 C10 C11 C12 0.7(4) .
C9 C10 C11 C12 -171.1(3) .
C10 C11 C12 C13 -1.2(5) .
C10 C11 C12 C22 175.9(3) .
C11 C12 C13 C14 1.1(5) .
C22 C12 C13 C14 -176.0(3) .
C12 C13 C14 C15 -0.4(5) .
C12 C13 C14 C23 176.8(3) .
U O3 C15 C10 91.7(3) .
U O3 C15 C14 -88.8(3) .
C11 C10 C15 O3 179.5(2) .
C9 C10 C15 O3 -8.7(4) .
C11 C10 C15 C14 0.1(4) .
C9 C10 C15 C14 171.9(3) .
C13 C14 C15 O3 -179.7(3) .
C23 C14 C15 O3 3.1(4) .
C13 C14 C15 C10 -0.2(4) .
C23 C14 C15 C10 -177.5(3) .
C9 N8 C16 C17 -72.1(3) .
C7 N8 C16 C17 164.7(2) .
N8 C16 C17 C18 -178.1(2) .
C16 C17 C18 C19 171.5(3) .
C17 C18 C19 O4 -63.2(4) .
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1 PubChem 139041526
