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Information card for entry 1559069
Preview
Coordinates | 1559069.cif |
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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 |
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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 |
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256349 (current) | 2020-09-11 | cif/ Adding structures of 1559069 via cif-deposit CGI script. |
1559069.cif |
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