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Information card for entry 1559183
Preview
| Coordinates | 1559183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | exo,endo-7,8-dihydroxy-exo-8-methyl- |
|---|---|
| Formula | C8 H12 O4 |
| Calculated formula | C8 H2 O4 |
| SMILES | O1[C@H]2[C@@H](CC1=O)C[C@H](O)[C@]2(O)C.O1[C@@H]2[C@H](CC1=O)C[C@@H](O)[C@@]2(O)C |
| Title of publication | NMR Spectroscopic, Molecular Mechanics and X-Ray Crystallographic Studies of Performic Acid Oxidation Products of 4-, 5- and 6-Methylbicyclo[2.2.1]hept-5-en-2-ones |
| Authors of publication | Kolehmainen, E.; Laihia, K.; Rissanen, K.; Korvola, J.; Niemi, V. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 290 - 297 |
| a | 12.021 ± 0.004 Å |
| b | 10.236 ± 0.002 Å |
| c | 6.607 ± 0.001 Å |
| α | 90° |
| β | 98.95 ± 0.02° |
| γ | 90° |
| Cell volume | 803.1 ± 0.3 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256719 (current) | 2020-09-24 | cif/ Adding structures of 1559183 via cif-deposit CGI script. |
1559183.cif |
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