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Information card for entry 1559847
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| Coordinates | 1559847.cif |
|---|---|
| Structure factors | 1559847.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2-<i>O</i>-Isopropylidene-β-D-<i>lyxo</i>-furanose |
|---|---|
| Formula | C8 H14 O5 |
| Calculated formula | C8 H14 O5 |
| SMILES | O1C(O[C@@H]2O[C@@H]([C@H](O)[C@H]12)CO)(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 | 5.9196 ± 0.0003 Å |
| b | 7.3562 ± 0.0004 Å |
| c | 21.1126 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 919.36 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.0566 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260117 (current) | 2020-12-23 | cif/ hkl/ Adding structures of 1559847 via cif-deposit CGI script. |
1559847.cif 1559847.hkl |
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