Information card for entry 2230411
Chemical name |
(3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-[3-(piperidin-1- yl)propanoyl]piperidin-4-one |
Formula |
C27 H30 N2 O2 |
Calculated formula |
C27 H30 N2 O2 |
SMILES |
O=C(N1CC(=C\c2ccccc2)/C(=O)/C(=C/c2ccccc2)C1)CCN1CCCCC1 |
Title of publication |
(3<i>E</i>,5<i>E</i>)-3,5-Dibenzylidene-1-[3-(piperidin-1-yl)propanoyl]piperidin-4-one |
Authors of publication |
Kia, Yalda; Osman, Hasnah; Murugaiyah, Vikneswaran; Hemamalini, Madhukar; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
o1299 - o1300 |
a |
9.7757 ± 0.0006 Å |
b |
10.9562 ± 0.0006 Å |
c |
20.94 ± 0.0015 Å |
α |
93.065 ± 0.001° |
β |
96.594 ± 0.001° |
γ |
90.115 ± 0.001° |
Cell volume |
2224.7 ± 0.2 Å3 |
Cell temperature |
100 ± 0.1 K |
Ambient diffraction temperature |
100 ± 0.1 K |
Number of distinct elements |
4 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0703 |
Residual factor for significantly intense reflections |
0.0464 |
Weighted residual factors for significantly intense reflections |
0.1094 |
Weighted residual factors for all reflections included in the refinement |
0.1224 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
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/2230411.html