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CIF Information Card
Information card for 2013375
2013374 << 2013375 >> 2013376Preview
|
Coordinates |
2013375.cif |
|
Structure factors |
2013375.hkl |
Structure parameters
| Common name | nootkatone |
| Formula | - C15 H22 O - |
| Calculated formula | - C15 H22 O - |
| Title of publication | The sesquiterpenoid nootkatone and the absolute configuration of a dibromo derivative |
| Authors of publication | Sauer, Anne M.; Fronczek, Frank R.; Zhu, Betty C. R.; Crowe, William E.; Henderson, Gregg; Laine, Roger A. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Pages of publication | o254 - o256 |
| a | 5.903 ± 0.002 Å |
| b | 9.495 ± 0.004 Å |
| c | 11.63 ± 0.006 Å |
| α | 90° |
| β | 96.09 ± 0.02° |
| γ | 90° |
| Cell volume | 648.2 ± 0.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |