Information card for entry 2217504
Chemical name |
2-{3-Cyano-5,5-dimethyl-4-[4-(piperidin-1-yl)buta-1,3-dienyl]- 2,5-dihydrofuran-2-ylidene}malononitrile |
Formula |
C19 H20 N4 O |
Calculated formula |
C19 H20 N4 O |
SMILES |
O1C(C(C=C/C=C/N2CCCCC2)=C(C1=C(C#N)C#N)C#N)(C)C |
Title of publication |
2-{3-Cyano-5,5-dimethyl-4-[4-(piperidin-1-yl)buta-1,3-dienyl]-2,5-dihydrofuran-2-ylidene}malononitrile |
Authors of publication |
Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.; Spek, Anthony L. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
2 |
Pages of publication |
o503 - o503 |
a |
15.094 ± 0.004 Å |
b |
18.994 ± 0.005 Å |
c |
13.332 ± 0.004 Å |
α |
90° |
β |
116.193 ± 0.008° |
γ |
90° |
Cell volume |
3429.7 ± 1.7 Å3 |
Cell temperature |
119 ± 2 K |
Ambient diffraction temperature |
119 ± 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 |
0.1698 |
Residual factor for significantly intense reflections |
0.0786 |
Weighted residual factors for significantly intense reflections |
0.1661 |
Weighted residual factors for all reflections included in the refinement |
0.2027 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
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/2217504.html