Information card for entry 2241048
Chemical name |
10-Benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione |
Formula |
C32 H37 N O4 |
Calculated formula |
C32 H37 N O4 |
SMILES |
C12=C(C(C3=C(CC(CC3=O)(C)C)N2Cc2ccccc2)c2cc(c(cc2)OC)OC)C(=O)CC(C1)(C)C |
Title of publication |
Crystal structure of 10-benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione |
Authors of publication |
Sureshbabu, N.; Sughanya, V. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
9 |
Pages of publication |
o688 - o689 |
a |
10.7068 ± 0.0003 Å |
b |
17.875 ± 0.0004 Å |
c |
28.1694 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
5391.2 ± 0.2 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0793 |
Residual factor for significantly intense reflections |
0.042 |
Weighted residual factors for significantly intense reflections |
0.0986 |
Weighted residual factors for all reflections included in the refinement |
0.1191 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2241048.html