Information card for entry 2232346
Chemical name |
2-(3-Cyano-4-{7-[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]hepta- 1,3,5-trienyl}-5,5-dimethyl-2,5-dihydrofuran-2-ylidene)malononitrile |
Formula |
C29 H28 N4 O2 |
Calculated formula |
C29 H28 N4 O2 |
SMILES |
O1C(C(/C=C/C=C/C=C/C=C2/N(c3c(C2(C)C)cccc3)CCO)=C(C1=C(C#N)C#N)C#N)(C)C |
Title of publication |
2-(3-Cyano-4-{7-[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]hepta-1,3,5-trienyl}-5,5-dimethyl-2,5-dihydrofuran-2-ylidene)malononitrile |
Authors of publication |
Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
11 |
Pages of publication |
o3026 |
a |
9.3157 ± 0.0004 Å |
b |
10.5376 ± 0.0004 Å |
c |
13.4474 ± 0.0006 Å |
α |
101.338 ± 0.002° |
β |
100.087 ± 0.002° |
γ |
100.57 ± 0.002° |
Cell volume |
1241.42 ± 0.09 Å3 |
Cell temperature |
124 ± 2 K |
Ambient diffraction temperature |
124 ± 2 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 |
0.0624 |
Residual factor for significantly intense reflections |
0.0455 |
Weighted residual factors for significantly intense reflections |
0.1175 |
Weighted residual factors for all reflections included in the refinement |
0.13 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.015 |
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/2232346.html