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CIF Information Card
Information card for 2013986
2013985 << 2013986 >> 2013987Preview
|
Coordinates |
2013986.cif |
|
Structure factors |
2013986.hkl |
Structure parameters
| Common name | (+)-parasantonic acid |
| Formula | - C15 H20 O4 - |
| Calculated formula | - C15 H20 O4 - |
| Title of publication | (-)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid |
| Authors of publication | Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o408 - o410 |
| a | 6.77 ± 0.002 Å |
| b | 13.16 ± 0.003 Å |
| c | 15.553 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1385.7 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |