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CIF Information Card
Information card for 2012569
2012568 << 2012569 >> 2012570Preview
|
Coordinates |
2012569.cif |
|
Structure factors |
2012569.hkl |
Structure parameters
| Common name | cyclohexanone-3-acetic acid |
| Formula | - C8 H12 O3 - |
| Calculated formula | - C8 H12 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 | 6.625 ± 0.002 Å |
| b | 5.669 ± 0.001 Å |
| c | 21.841 ± 0.005 Å |
| α | 90° |
| β | 90.33 ± 0.02° |
| γ | 90° |
| Cell volume | 820.3 ± 0.3 Å3 |
| Cell temperature | 241 ± 2 K |
| Ambient diffraction temperature | 241 ± 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 | No |
| Has Fobs | Yes |