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CIF Information Card
Information card for 2012606
2012605 << 2012606 >> 2012607Preview
|
Coordinates |
2012606.cif |
|
Structure factors |
2012606.hkl |
Structure parameters
| Formula | - C12 H20 O3 - |
| Calculated formula | - C12 H20 O3 - |
| Title of publication | 2-cis-3-trans-3-Ethyl-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid: an intermediate in the synthesis of a highly potent estrogen |
| Authors of publication | Xie, Songwen; Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o159 - o161 |
| a | 13.716 ± 0.003 Å |
| b | 14.103 ± 0.003 Å |
| c | 6.214 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1202 ± 0.9 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 |