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Information card for entry 1559069
Preview
| Coordinates | 1559069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6(R)-Acetoxy-2(S)-methoxy-1(R),5(R)-3,7,8-trioxabicyclo[3.2.1]octane |
|---|---|
| Formula | C8 H12 O6 |
| Calculated formula | C8 O6 |
| SMILES | O1[C@H]2O[C@@H]([C@H]1OC(=O)C)CO[C@@H]2OC |
| Title of publication | Identification by X-Ray Methods of 6(R)-Acetoxy-2(S)-methoxy-1(R),5(R)-3,7,8-trioxabicyclo[3.2.1]octane. A New Compound Isolated after Periodate Oxidation of Methyl alpha-D-Xylopyranoside in Dimethyl Sulfoxide Followed by Acetylation |
| Authors of publication | Aalmo, Kjell M.; Drew, Michael G. B.; Nicholson, David G. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 1235 - 1237 |
| a | 6.135 ± 0.007 Å |
| b | 9.476 ± 0.009 Å |
| c | 19.193 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1115.8 ± 1.8 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256349 (current) | 2020-09-11 | cif/ Adding structures of 1559069 via cif-deposit CGI script. |
1559069.cif |
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