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CIF Information Card
Information card for 2010513
2010512 << 2010513 >> 2010514Preview
|
Coordinates |
2010513.cif |
Structure parameters
| Formula | - C13 H12 N2 O S - |
| Calculated formula | - C13 H12 N2 O S - |
| Title of publication | trans,trans-2-Cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide |
| Authors of publication | Nesterov, Vladimir N.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Pages of publication | 88 - 89 |
| a | 6.459 ± 0.0013 Å |
| b | 15.662 ± 0.003 Å |
| c | 12.276 ± 0.003 Å |
| α | 90° |
| β | 95.51 ± 0.03° |
| γ | 90° |
| Cell volume | 1236.1 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |