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Information card for entry 1557896
Preview
| Coordinates | 1557896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-deoxy-2-C-hydroxymethyl-D-erythro-pentono-1,4-lactone |
|---|---|
| Formula | C5 H8 O4 |
| Calculated formula | C5 H8 O4 |
| SMILES | O1C(=O)C(O)(CC1)CO |
| Title of publication | The Crystal and Molecular Structures of Five-Carbon and Six-Carbon Isosaccharino-1,4-lactones from Alkaline Pulping |
| Authors of publication | Alen, Raimo; Valkonen, Jussi |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1995 |
| Journal volume | 49 |
| Pages of publication | 536 - 539 |
| a | 6.744 ± 0.002 Å |
| b | 8.56 ± 0.002 Å |
| c | 10.305 ± 0.004 Å |
| α | 90° |
| β | 99.1 ± 0.03° |
| γ | 90° |
| Cell volume | 587.4 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 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 | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.04 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.866 |
| 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 |
|---|---|---|---|
| 251126 (current) | 2020-04-24 | cif/ Adding structures of 1557896 via cif-deposit CGI script. |
1557896.cif |
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