Information card for entry 2209807
Chemical name |
5-Hydroxy-3,3,6,6-tetramethyl-9-propyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione monohydrate |
Formula |
C20 H31 N O4 |
Calculated formula |
C20 H31 N O4 |
SMILES |
ON1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(CC2=O)(C)C)CCC.O |
Title of publication |
5-Hydroxy-3,3,6,6-tetramethyl-9-propyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione monohydrate |
Authors of publication |
Xiang Zou; Shu-Jiang Tu; Fang Fang; Yan Zhang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
8 |
Pages of publication |
o3510 - o3511 |
a |
9.355 ± 0.001 Å |
b |
13.046 ± 0.003 Å |
c |
16.033 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1956.8 ± 0.6 Å3 |
Cell temperature |
291 ± 2 K |
Ambient diffraction temperature |
291 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0715 |
Residual factor for significantly intense reflections |
0.0391 |
Weighted residual factors for significantly intense reflections |
0.08 |
Weighted residual factors for all reflections included in the refinement |
0.086 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.847 |
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/2209807.html