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CIF Information Card
Information card for 2012568
2012567 << 2012568 >> 2012569Preview
|
Coordinates |
2012568.cif |
|
Structure factors |
2012568.hkl |
Structure parameters
| Common name | cyclohexanone-3-carboxylic acid |
| Formula | - C7 H10 O3 - |
| Calculated formula | - C7 H10 O3 - |
| Title of publication | (±)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids |
| Authors of publication | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o154 - o156 |
| a | 6.3346 ± 0.0017 Å |
| b | 10.758 ± 0.003 Å |
| c | 11.012 ± 0.003 Å |
| α | 90° |
| β | 94.202 ± 0.017° |
| γ | 90° |
| Cell volume | 748.4 ± 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/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |