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CIF Information Card
Information card for 2013780
2013779 << 2013780 >> 2013781Preview
|
Coordinates |
2013780.cif |
|
Structure factors |
2013780.hkl |
Structure parameters
| Formula | - C7 H12 O4 - |
| Calculated formula | - C7 H12 O4 - |
| Title of publication | 4-Oxocyclohexanecarboxylic acid: hydrogen bonding in the monohydrate of a δ-keto acid. |
| Authors of publication | Barcon, Alan; Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o140 - o142 |
| a | 6.7298 ± 0.0008 Å |
| b | 7.2091 ± 0.0011 Å |
| c | 8.4367 ± 0.0012 Å |
| α | 85.928 ± 0.013° |
| β | 83.075 ± 0.017° |
| γ | 82.132 ± 0.016° |
| Cell volume | 401.88 ± 0.1 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 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 |