Information card for entry 2233734
Chemical name |
1-Formyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one |
Formula |
C20 H21 N O2 |
Calculated formula |
C20 H21 N O2 |
SMILES |
O=CN1[C@H](C(C(=O)C[C@H]1c1ccccc1)(C)C)c1ccccc1.O=CN1[C@@H](C(C(=O)C[C@@H]1c1ccccc1)(C)C)c1ccccc1 |
Title of publication |
1-Formyl-<i>c</i>-3,<i>t</i>-3-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one |
Authors of publication |
Ravichandran, K.; Sakthivel, P.; Ramesh, P.; Ponnuswamy, S.; Ponnuswamy, M. N. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
o870 |
a |
10.6604 ± 0.0006 Å |
b |
15.7278 ± 0.0007 Å |
c |
10.8066 ± 0.0005 Å |
α |
90° |
β |
110.12 ± 0.002° |
γ |
90° |
Cell volume |
1701.31 ± 0.15 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/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0697 |
Residual factor for significantly intense reflections |
0.0423 |
Weighted residual factors for significantly intense reflections |
0.1091 |
Weighted residual factors for all reflections included in the refinement |
0.125 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
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/2233734.html