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Information card for entry 2009082
Preview
| Coordinates | 2009082.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | (+)-cis-Pinonic Acid |
|---|---|
| Chemical name | (1S,3S)-(+)-cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid |
| Formula | C10 H16 O3 |
| Calculated formula | C10 H16 O3 |
| Title of publication | (+)-<i>cis</i>-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid |
| Authors of publication | Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 1908 - 1911 |
| a | 6.625 ± 0.001 Å |
| b | 11.476 ± 0.001 Å |
| c | 7.127 ± 0.001 Å |
| α | 90° |
| β | 105.03 ± 0.01° |
| γ | 90° |
| Cell volume | 523.32 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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