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CIF Information Card
Information card for 2012499
2012498 << 2012499 >> 2012500Preview
|
Coordinates |
2012499.cif |
|
Structure factors |
2012499.hkl |
Structure parameters
| Common name | 4-trifluoromethylbenzonitrile |
| Formula | - C8 H4 F3 N - |
| Calculated formula | - C8 H4 F3 N - |
| Title of publication | 4-(Trifluoromethyl)benzonitrile |
| Authors of publication | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o66 - o68 |
| a | 8.2189 ± 0.0006 Å |
| b | 6.0621 ± 0.0003 Å |
| c | 15.0977 ± 0.001 Å |
| α | 90° |
| β | 102.835 ± 0.003° |
| γ | 90° |
| Cell volume | 733.43 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |