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Information card for entry 1551665
Preview
| Coordinates | 1551665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 O10 |
|---|---|
| Calculated formula | C14 H20 O10 |
| SMILES | O([C@@H]1[C@](OC[C@@H](OC(=O)C)[C@@H]1OC(=O)C)(O)COC(=O)C)C(=O)C |
| Title of publication | Crystal Structure of 1,3,4,5-Tetra-O-acetyl-^|^alpha;-D-tagatopyranose |
| Authors of publication | MIURA, Daisuke; FUJIMOTO, Takashi; TASHIRO, Mitsuru; MACHINAMI, Tomoya |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 3 |
| a | 7.9393 ± 0.0012 Å |
| b | 13.469 ± 0.003 Å |
| c | 15.825 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1692.2 ± 0.6 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0313 |
| Weighted residual factors for all reflections included in the refinement | 0.0845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216276 (current) | 2019-06-20 | cif/ Adding structures of 1551665 via cif-deposit CGI script. |
1551665.cif |
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