Information card for entry 2212003
Common name |
Piperidone |
Chemical name |
1-Acetyl-r-2,c-6-di-2-furyl-3,5-dimethylpiperidin-4-one |
Formula |
C17 H19 N O4 |
Calculated formula |
C17 H19 N O4 |
SMILES |
O=C1[C@H]([C@@H](N([C@@H]([C@H]1C)c1occc1)C(=O)C)c1occc1)C |
Title of publication |
1-Acetyl-<i>r</i>-2,<i>c</i>-6-di-2-furyl-3,5-dimethylpiperidin-4-one |
Authors of publication |
Balamurugan, S; Thiruvalluvar, A; Manimekalai, A; Selvaraju, K; Maruthavanan, T |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
2 |
Pages of publication |
o789 - o791 |
a |
9.1342 ± 0.0007 Å |
b |
15.726 ± 0.001 Å |
c |
11.1749 ± 0.0008 Å |
α |
90° |
β |
103.055 ± 0.003° |
γ |
90° |
Cell volume |
1563.72 ± 0.19 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0813 |
Residual factor for significantly intense reflections |
0.0523 |
Weighted residual factors for significantly intense reflections |
0.143 |
Weighted residual factors for all reflections included in the refinement |
0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2212003.html