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Information card for entry 1557897
Preview
| Coordinates | 1557897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-deoxy-2-C-hydroxymethyl-D,L-tetrono-1,4-lactone |
|---|---|
| Formula | C6 H10 O5 |
| Calculated formula | C6 H10 O5 |
| SMILES | O1C(=O)[C@](O)(C[C@H]1CO)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 | 6.184 ± 0.002 Å |
| b | 8.932 ± 0.001 Å |
| c | 6.566 ± 0.001 Å |
| α | 90° |
| β | 94.09 ± 0.02° |
| γ | 90° |
| Cell volume | 361.75 ± 0.14 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.03 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.296 |
| 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 |
|---|---|---|---|
| 251127 (current) | 2020-04-24 | cif/ Adding structures of 1557897 via cif-deposit CGI script. |
1557897.cif |
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Users of the data should acknowledge the original authors of the
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