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Information card for entry 1559848
Preview
| Coordinates | 1559848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H14 O5 |
|---|---|
| Calculated formula | C8 H14 O5 |
| SMILES | O1[C@@H]2[C@@H](O[C@H](CO)[C@@H]2O)OC1(C)C |
| Title of publication | 1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose |
| Authors of publication | Doboszewski, Bogdan; Nazarenko, Alexander Y. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | x201630 |
| a | 5.9216 ± 0.0003 Å |
| b | 7.3539 ± 0.0004 Å |
| c | 21.1087 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 919.22 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 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 all reflections | 0.0775 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0757 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260118 (current) | 2020-12-23 | cif/ hkl/ Adding structures of 1559848 via cif-deposit CGI script. |
1559848.cif |
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