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CIF Information Card
Information card for 2013978
2013977 << 2013978 >> 2013979Preview
|
Coordinates |
2013978.cif |
|
Structure factors |
2013978.hkl |
Structure parameters
| Formula | - C12 H16 O3 - |
| Calculated formula | - C12 H16 O3 - |
| Title of publication | (±)-7-Oxo-1,2,3,4,4a,5,6,7-octahydronaphthalene-1-acetic acid: catemeric hydrogen bonding and diastereomeric disorder in a bicyclic unsaturated ε-keto acid |
| Authors of publication | Davison, Mark; Thompson, Hugh W.; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o242 - o244 |
| a | 10.354 ± 0.002 Å |
| b | 8.269 ± 0.002 Å |
| c | 13.512 ± 0.003 Å |
| α | 90° |
| β | 108.27 ± 0.02° |
| γ | 90° |
| Cell volume | 1098.5 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |