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CIF Information Card
Information card for 2012427
2012426 << 2012427 >> 2012428Preview
|
Coordinates |
2012427.cif |
|
Structure factors |
2012427.hkl |
Structure parameters
| Common name | (+)-4-Pregnen-3-one-20\b-carboxylic acid |
| Formula | - C22 H32 O3 - |
| Calculated formula | - C22 H32 O3 - |
| Title of publication | (+)-4-Pregnen-3-one-20β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid |
| Authors of publication | Thompson, Hugh W.; Lalancette, Roger A. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o22 - o23 |
| a | 9.684 ± 0.003 Å |
| b | 27.325 ± 0.007 Å |
| c | 7.281 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1926.7 ± 1.3 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 2 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |