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Information card for entry 2008852
Preview
| Coordinates | 2008852.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (1S,2S,5S,6S)-6-methyl-5,6-dihydroxycyclohexe-3-en-1,2-diyl diacetate |
|---|---|
| Formula | C11 H16 O6 |
| Calculated formula | C11 H16 O6 |
| SMILES | C1=C[C@H](O)[C@@](O)(C)[C@@H](OC(=O)C)[C@H]1OC(=O)C |
| Title of publication | (1<i>S</i>,2<i>S</i>,5<i>S</i>,6<i>S</i>)-5,6-Dihydroxy-6-methylcyclohex-3-en-1,2-diyl diacetate |
| Authors of publication | Silvia Russi; Leopoldo Suescun; Alvaro W. Mombrú; Helena Pardo; Raúl A. Mariezcurrena; Margarita Brovetto; Gustavo Seoane |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 8 |
| Pages of publication | 1347 - 1349 |
| a | 7.935 ± 0.007 Å |
| b | 8.656 ± 0.003 Å |
| c | 9.389 ± 0.003 Å |
| α | 90° |
| β | 97.87 ± 0.04° |
| γ | 90° |
| Cell volume | 638.8 ± 0.6 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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