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CIF Information Card
Information card for 2013990
2013989 << 2013990 >> 2013991Preview
|
Coordinates |
2013990.cif |
|
Structure factors |
2013990.hkl |
Structure parameters
| Formula | - C10 H16 O3 - |
| Calculated formula | - C10 H16 O3 - |
| Title of publication | (±)-3-Ethyl-2-methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a cyclic δ-keto acid |
| Authors of publication | Davison, Mark; Kikolski,Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o449 - o451 |
| a | 5.5739 ± 0.0012 Å |
| b | 12.814 ± 0.003 Å |
| c | 14.396 ± 0.003 Å |
| α | 80.425 ± 0.014° |
| β | 85.53 ± 0.02° |
| γ | 82.67 ± 0.02° |
| Cell volume | 1003.9 ± 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 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |