#------------------------------------------------------------------------------
#$Date: 2017-10-14 21:27:35 +0200 (Sat 14 de Oct de 2017) $
#$Revision: 202017 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/05/7050540.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_7050540
loop_
_publ_author_name
'Gisbert Grossmann'
'Marek J. Potrzebowski'
'Sebastian Olejniczak'
'Natasza E. Ziółkowska'
'Grzegorz D. Bujacz'
'Wlodzimierz Ciesielski'
'Wiktor Prezdo'
'Valerii Nazarov'
'Vladislav Golovko'
_publ_section_title
;
 Structural studies of N-(2'-substituted
 phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by
 X-ray diffraction and NMR spectroscopy---proofs for CH/π interactions
 in liquid and solid phases
;
_journal_issue                   7
_journal_name_full               'New J. Chem.'
_journal_page_first              1095
_journal_page_last               1101
_journal_paper_doi               10.1039/b300759f
_journal_volume                  27
_journal_year                    2003
_chemical_formula_sum            'C26 H21 N O3'
_chemical_formula_weight         395.44
_chemical_melting_point          466
_chemical_name_common
;N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-
dicarboximide
;
_chemical_name_systematic
;N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10-
ethanoanthracene-11,12-dicarboximide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 108.16(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.900(2)
_cell_length_b                   12.637(3)
_cell_length_c                   15.214(4)
_cell_measurement_reflns_used    25
_cell_measurement_theta_max      27.20
_cell_measurement_theta_min      20.93
_cell_volume                     1991.2(8)
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'ω/2θ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8427
_diffrn_reflns_theta_max         74.99
_exptl_absorpt_coefficient_mu    0.690
_exptl_absorpt_correction_T_max  0.9975
_exptl_absorpt_correction_T_min  0.9160
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'(ψ scan; North, Phillips & Mathews, 1968; Frenz, 1986)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_description       'monoclinic prism'
_exptl_crystal_F_000             832
_exptl_crystal_preparation       toluene
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.56
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.170
_refine_diff_density_min         -0.229
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     355
_refine_ls_number_reflns         3981
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/[σ²(Fo²)+(0.0731P)²+0.3164P]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1254
_refine_ls_wR_factor_ref         0.1207
_reflns_number_gt                3698
_reflns_number_total             4100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b300759f.txt
_cod_data_source_block           compound3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_hydrogen_treatment' value 'Refall' changed to 'refall'
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=1/[\s^2^(Fo^2^)+(0.0731P)^2^+0.3164P]' was changed to 'calc'. New
tag '_refine_ls_weighting_details' was created. The value of the new
tag was set to 'w=1/[\s^2^(Fo^2^)+(0.0731P)^2^+0.3164P]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7050540
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
O1 O 0.59460(11) 0.13721(9) -0.03666(7) 0.0604(3) Uani 1 d . .
O2 O 0.74585(10) 0.30307(11) 0.24203(8) 0.0700(4) Uani 1 d . .
O3 O 0.93497(10) 0.22193(9) 0.12280(9) 0.0615(3) Uani 1 d . .
N1 N 0.68602(10) 0.19877(9) 0.11151(7) 0.0423(3) Uani 1 d . .
C1 C 0.30296(11) 0.37020(10) -0.00071(8) 0.0379(3) Uani 1 d . .
C2 C 0.19909(14) 0.41008(13) -0.07107(9) 0.0500(3) Uani 1 d . .
C3 C 0.1455(2) 0.50607(15) -0.05730(12) 0.0634(4) Uani 1 d . .
C4 C 0.1941(2) 0.56090(14) 0.02434(12) 0.0618(4) Uani 1 d . .
C5 C 0.29761(14) 0.52144(11) 0.09509(10) 0.0471(3) Uani 1 d . .
C6 C 0.35137(11) 0.42585(10) 0.08224(8) 0.0368(3) Uani 1 d . .
C7 C 0.46144(11) 0.36960(9) 0.15245(8) 0.0352(3) Uani 1 d . .
C8 C 0.41633(10) 0.25928(9) 0.16362(7) 0.0334(2) Uani 1 d . .
C9 C 0.41930(13) 0.21206(11) 0.24634(9) 0.0430(3) Uani 1 d . .
C10 C 0.37608(14) 0.10853(12) 0.24499(10) 0.0496(3) Uani 1 d . .
C11 C 0.33507(13) 0.05171(11) 0.16349(10) 0.0474(3) Uani 1 d . .
C12 C 0.33313(12) 0.09862(10) 0.08019(9) 0.0403(3) Uani 1 d . .
C13 C 0.37121(10) 0.20305(9) 0.08055(8) 0.0336(2) Uani 1 d . .
C14 C 0.37367(11) 0.26768(10) -0.00276(8) 0.0358(3) Uani 1 d . .
C15 C 0.51728(11) 0.29924(10) 0.01335(8) 0.0375(3) Uani 1 d . .
C16 C 0.57073(11) 0.35722(10) 0.10640(9) 0.0395(3) Uani 1 d . .
C17 C 0.67841(12) 0.28745(12) 0.16409(9) 0.0460(3) Uani 1 d . .
C18 C 0.60066(12) 0.20235(10) 0.02207(8) 0.0407(3) Uani 1 d . .
C19 C 0.77392(12) 0.11303(11) 0.14516(9) 0.0433(3) Uani 1 d . .
C20 C 0.90262(13) 0.12527(11) 0.14836(10) 0.0475(3) Uani 1 d . .
C21 C 0.98624(14) 0.04044(14) 0.17875(11) 0.0576(4) Uani 1 d . .
C22 C 0.9425(2) -0.05298(14) 0.20561(10) 0.0585(4) Uani 1 d . .
C23 C 0.8152(2) -0.06433(14) 0.20254(11) 0.0593(4) Uani 1 d . .
C24 C 0.73062(15) 0.01961(13) 0.17172(10) 0.0532(3) Uani 1 d . .
C25 C 1.03884(14) 0.22749(14) 0.08320(13) 0.0586(4) Uani 1 d . .
C26 C 1.0068(2) 0.1754(2) -0.0087(2) 0.0755(5) Uani 1 d . .
H2 H 0.1643(17) 0.3700(15) -0.1290(13) 0.063(5) Uiso 1 d . .
H3 H 0.0695(21) 0.5312(17) -0.1078(14) 0.080(6) Uiso 1 d . .
H4 H 0.1589(21) 0.6297(18) 0.0327(14) 0.080(6) Uiso 1 d . .
H5 H 0.3318(15) 0.5618(14) 0.1538(11) 0.052(4) Uiso 1 d . .
H7 H 0.4939(14) 0.4086(12) 0.2115(10) 0.041(4) Uiso 1 d . .
H9 H 0.4504(16) 0.2516(14) 0.3048(11) 0.053(4) Uiso 1 d . .
H10 H 0.3763(17) 0.0748(15) 0.3028(12) 0.062(5) Uiso 1 d . .
H11 H 0.3092(16) -0.0210(14) 0.1648(11) 0.053(4) Uiso 1 d . .
H12 H 0.3049(15) 0.0584(13) 0.0223(11) 0.048(4) Uiso 1 d . .
H14 H 0.3379(14) 0.2283(12) -0.0615(9) 0.039(3) Uiso 1 d . .
H15 H 0.5239(14) 0.3445(12) -0.0391(10) 0.044(4) Uiso 1 d . .
H16 H 0.6070(15) 0.4262(13) 0.0998(10) 0.047(4) Uiso 1 d . .
H21 H 1.0811(22) 0.0494(17) 0.1812(14) 0.080(6) Uiso 1 d . .
H22 H 1.0007(20) -0.1102(16) 0.2293(14) 0.071(5) Uiso 1 d . .
H23 H 0.7863(20) -0.1322(17) 0.2240(14) 0.075(6) Uiso 1 d . .
H24 H 0.6377(20) 0.0117(15) 0.1648(13) 0.072(5) Uiso 1 d . .
H251 H 1.0525(17) 0.3094(15) 0.0787(12) 0.060(5) Uiso 1 d . .
H252 H 1.1205(19) 0.1974(15) 0.1302(13) 0.065(5) Uiso 1 d . .
H261 H 1.0838(29) 0.1858(23) -0.0386(20) 0.125(9) Uiso 1 d . .
H262 H 1.0001(27) 0.0958(26) -0.0035(20) 0.118(9) Uiso 1 d . .
H263 H 0.9198(23) 0.1931(17) -0.0477(15) 0.080(6) Uiso 1 d . .
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
C20 O3 C25 118.08(11) . . ?
C18 N1 C17 113.22(11) . . ?
C18 N1 C19 122.98(10) . . ?
C17 N1 C19 123.79(11) . . ?
C2 C1 C6 120.12(12) . . ?
C2 C1 C14 126.41(12) . . ?
C6 C1 C14 113.48(10) . . ?
C1 C2 C3 118.73(14) . . ?
C1 C2 H2 119.8(11) . . ?
C3 C2 H2 121.4(11) . . ?
C4 C3 C2 120.91(14) . . ?
C4 C3 H3 122.2(12) . . ?
C2 C3 H3 116.9(13) . . ?
C3 C4 C5 120.71(14) . . ?
C3 C4 H4 120.7(12) . . ?
C5 C4 H4 118.6(13) . . ?
C6 C5 C4 118.85(14) . . ?
C6 C5 H5 121.2(10) . . ?
C4 C5 H5 119.9(9) . . ?
C5 C6 C1 120.68(12) . . ?
C5 C6 C7 126.06(12) . . ?
C1 C6 C7 113.25(10) . . ?
C8 C7 C6 107.45(9) . . ?
C8 C7 C16 106.18(9) . . ?
C6 C7 C16 106.11(9) . . ?
C8 C7 H7 113.3(9) . . ?
C6 C7 H7 112.9(8) . . ?
C16 C7 H7 110.4(9) . . ?
C9 C8 C13 120.30(11) . . ?
C9 C8 C7 125.87(11) . . ?
C13 C8 C7 113.81(10) . . ?
C8 C9 C10 118.76(12) . . ?
C8 C9 H9 120.5(10) . . ?
C10 C9 H9 120.8(10) . . ?
C11 C10 C9 121.10(12) . . ?
C11 C10 H10 119.4(11) . . ?
C9 C10 H10 119.5(11) . . ?
C10 C11 C12 120.29(13) . . ?
C10 C11 H11 119.5(10) . . ?
C12 C11 H11 120.2(10) . . ?
C13 C12 C11 118.88(12) . . ?
C13 C12 H12 120.6(9) . . ?
C11 C12 H12 120.6(9) . . ?
C12 C13 C8 120.59(11) . . ?
C12 C13 C14 126.49(11) . . ?
C8 C13 C14 112.89(10) . . ?
C1 C14 C13 107.61(9) . . ?
C1 C14 C15 105.70(10) . . ?
C13 C14 C15 106.57(9) . . ?
C1 C14 H14 112.9(8) . . ?
C13 C14 H14 112.3(8) . . ?
C15 C14 H14 111.3(8) . . ?
C18 C15 C16 105.14(10) . . ?
C18 C15 C14 110.78(10) . . ?
C16 C15 C14 109.90(9) . . ?
C18 C15 H15 110.1(9) . . ?
C16 C15 H15 111.1(9) . . ?
C14 C15 H15 109.8(9) . . ?
C17 C16 C15 105.04(10) . . ?
C17 C16 C7 111.08(10) . . ?
C15 C16 C7 109.66(9) . . ?
C17 C16 H16 108.4(9) . . ?
C15 C16 H16 112.4(9) . . ?
C7 C16 H16 110.2(9) . . ?
O2 C17 N1 124.82(13) . . ?
O2 C17 C16 127.11(12) . . ?
N1 C17 C16 108.06(11) . . ?
O1 C18 N1 124.80(12) . . ?
O1 C18 C15 126.86(12) . . ?
N1 C18 C15 108.32(10) . . ?
C24 C19 C20 121.11(13) . . ?
C24 C19 N1 120.08(12) . . ?
C20 C19 N1 118.80(13) . . ?
O3 C20 C21 125.86(13) . . ?
O3 C20 C19 115.86(12) . . ?
C21 C20 C19 118.26(14) . . ?
C22 C21 C20 120.42(14) . . ?
C22 C21 H21 121.2(12) . . ?
C20 C21 H21 118.4(12) . . ?
C23 C22 C21 120.96(15) . . ?
C23 C22 H22 118.5(12) . . ?
C21 C22 H22 120.5(12) . . ?
C22 C23 C24 119.1(2) . . ?
C22 C23 H23 119.5(12) . . ?
C24 C23 H23 121.4(12) . . ?
C19 C24 C23 120.12(14) . . ?
C19 C24 H24 119.2(11) . . ?
C23 C24 H24 120.6(11) . . ?
O3 C25 C26 112.8(2) . . ?
O3 C25 H251 102.8(10) . . ?
C26 C25 H251 111.8(10) . . ?
O3 C25 H252 108.4(10) . . ?
C26 C25 H252 113.0(10) . . ?
H251 C25 H252 107.5(14) . . ?
C25 C26 H261 110.9(15) . . ?
C25 C26 H262 111.6(17) . . ?
H261 C26 H262 103.7(22) . . ?
C25 C26 H263 111.8(13) . . ?
H261 C26 H263 116.8(20) . . ?
H262 C26 H263 101.2(20) . . ?
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
O1 C18 1.201(2) . ?
O2 C17 1.201(2) . ?
O3 C20 1.361(2) . ?
O3 C25 1.440(2) . ?
N1 C18 1.389(2) . ?
N1 C17 1.394(2) . ?
N1 C19 1.431(2) . ?
C1 C2 1.388(2) . ?
C1 C6 1.397(2) . ?
C1 C14 1.513(2) . ?
C2 C3 1.390(2) . ?
C2 H2 0.98(2) . ?
C3 C4 1.376(3) . ?
C3 H3 0.99(2) . ?
C4 C5 1.387(2) . ?
C4 H4 0.97(2) . ?
C5 C6 1.383(2) . ?
C5 H5 0.99(2) . ?
C6 C7 1.512(2) . ?
C7 C8 1.505(2) . ?
C7 C16 1.567(2) . ?
C7 H7 0.988(15) . ?
C8 C9 1.384(2) . ?
C8 C13 1.399(2) . ?
C9 C10 1.389(2) . ?
C9 H9 0.98(2) . ?
C10 C11 1.381(2) . ?
C10 H10 0.98(2) . ?
C11 C12 1.393(2) . ?
C11 H11 0.96(2) . ?
C12 C13 1.383(2) . ?
C12 H12 0.98(2) . ?
C13 C14 1.515(2) . ?
C14 C15 1.559(2) . ?
C14 H14 0.991(14) . ?
C15 C18 1.506(2) . ?
C15 C16 1.538(2) . ?
C15 H15 1.00(2) . ?
C16 C17 1.511(2) . ?
C16 H16 0.97(2) . ?
C19 C24 1.378(2) . ?
C19 C20 1.397(2) . ?
C20 C21 1.390(2) . ?
C21 C22 1.382(3) . ?
C21 H21 1.03(2) . ?
C22 C23 1.381(3) . ?
C22 H22 0.96(2) . ?
C23 C24 1.388(2) . ?
C23 H23 1.00(2) . ?
C24 H24 0.99(2) . ?
C25 C26 1.484(3) . ?
C25 H251 1.05(2) . ?
C25 H252 1.03(2) . ?
C26 H261 1.08(3) . ?
C26 H262 1.01(3) . ?
C26 H263 0.98(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
C6 C1 C2 C3 0.4(2) . . . . ?
C14 C1 C2 C3 179.94(13) . . . . ?
C1 C2 C3 C4 0.1(2) . . . . ?
C2 C3 C4 C5 -0.2(3) . . . . ?
C3 C4 C5 C6 0.0(2) . . . . ?
C4 C5 C6 C1 0.4(2) . . . . ?
C4 C5 C6 C7 -178.08(13) . . . . ?
C2 C1 C6 C5 -0.6(2) . . . . ?
C14 C1 C6 C5 179.76(11) . . . . ?
C2 C1 C6 C7 178.08(11) . . . . ?
C14 C1 C6 C7 -1.55(14) . . . . ?
C5 C6 C7 C8 125.59(12) . . . . ?
C1 C6 C7 C8 -53.01(12) . . . . ?
C5 C6 C7 C16 -121.16(12) . . . . ?
C1 C6 C7 C16 60.24(12) . . . . ?
C6 C7 C8 C9 -126.31(12) . . . . ?
C16 C7 C8 C9 120.49(12) . . . . ?
C6 C7 C8 C13 55.16(12) . . . . ?
C16 C7 C8 C13 -58.05(12) . . . . ?
C13 C8 C9 C10 -0.4(2) . . . . ?
C7 C8 C9 C10 -178.81(11) . . . . ?
C8 C9 C10 C11 2.3(2) . . . . ?
C9 C10 C11 C12 -1.7(2) . . . . ?
C10 C11 C12 C13 -0.9(2) . . . . ?
C11 C12 C13 C8 2.8(2) . . . . ?
C11 C12 C13 C14 -179.01(11) . . . . ?
C9 C8 C13 C12 -2.2(2) . . . . ?
C7 C8 C13 C12 176.42(10) . . . . ?
C9 C8 C13 C14 179.37(10) . . . . ?
C7 C8 C13 C14 -2.00(13) . . . . ?
C2 C1 C14 C13 -124.87(13) . . . . ?
C6 C1 C14 C13 54.73(13) . . . . ?
C2 C1 C14 C15 121.55(13) . . . . ?
C6 C1 C14 C15 -58.85(12) . . . . ?
C12 C13 C14 C1 129.10(12) . . . . ?
C8 C13 C14 C1 -52.59(12) . . . . ?
C12 C13 C14 C15 -117.90(12) . . . . ?
C8 C13 C14 C15 60.41(12) . . . . ?
C1 C14 C15 C18 174.49(9) . . . . ?
C13 C14 C15 C18 60.19(12) . . . . ?
C1 C14 C15 C16 58.74(12) . . . . ?
C13 C14 C15 C16 -55.56(13) . . . . ?
C18 C15 C16 C17 -2.15(13) . . . . ?
C14 C15 C16 C17 117.11(11) . . . . ?
C18 C15 C16 C7 -121.59(10) . . . . ?
C14 C15 C16 C7 -2.33(14) . . . . ?
C8 C7 C16 C17 -57.29(12) . . . . ?
C6 C7 C16 C17 -171.42(10) . . . . ?
C8 C7 C16 C15 58.37(12) . . . . ?
C6 C7 C16 C15 -55.76(13) . . . . ?
C18 N1 C17 O2 -177.36(14) . . . . ?
C19 N1 C17 O2 1.7(2) . . . . ?
C18 N1 C17 C16 3.51(15) . . . . ?
C19 N1 C17 C16 -177.40(11) . . . . ?
C15 C16 C17 O2 -179.71(15) . . . . ?
C7 C16 C17 O2 -61.2(2) . . . . ?
C15 C16 C17 N1 -0.60(14) . . . . ?
C7 C16 C17 N1 117.88(11) . . . . ?
C17 N1 C18 O1 176.29(13) . . . . ?
C19 N1 C18 O1 -2.8(2) . . . . ?
C17 N1 C18 C15 -4.96(15) . . . . ?
C19 N1 C18 C15 175.94(11) . . . . ?
C16 C15 C18 O1 -177.06(13) . . . . ?
C14 C15 C18 O1 64.3(2) . . . . ?
C16 C15 C18 N1 4.23(13) . . . . ?
C14 C15 C18 N1 -114.44(11) . . . . ?
C18 N1 C19 C24 -78.6(2) . . . . ?
C17 N1 C19 C24 102.4(2) . . . . ?
C18 N1 C19 C20 99.95(15) . . . . ?
C17 N1 C19 C20 -79.1(2) . . . . ?
C25 O3 C20 C21 30.1(2) . . . . ?
C25 O3 C20 C19 -151.41(13) . . . . ?
C24 C19 C20 O3 -178.32(13) . . . . ?
N1 C19 C20 O3 3.2(2) . . . . ?
C24 C19 C20 C21 0.3(2) . . . . ?
N1 C19 C20 C21 -178.25(13) . . . . ?
O3 C20 C21 C22 177.94(14) . . . . ?
C19 C20 C21 C22 -0.5(2) . . . . ?
C20 C21 C22 C23 0.3(2) . . . . ?
C21 C22 C23 C24 0.2(2) . . . . ?
C20 C19 C24 C23 0.2(2) . . . . ?
N1 C19 C24 C23 178.66(13) . . . . ?
C22 C23 C24 C19 -0.4(2) . . . . ?
C20 O3 C25 C26 67.1(2) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 522812
