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Information card for entry 2011680
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| Coordinates | 2011680.cif |
|---|---|
| Structure factors | 2011680.hkl |
| Original IUCr paper | HTML |
| Common name | Sodium glucoheptonate dihydrate |
|---|---|
| Chemical name | Sodium D-glycero-D-gulo-heptonate dihydrate |
| Formula | C7 H17 Na O10 |
| Calculated formula | C7 H17 Na O10 |
| SMILES | [Na+].C(=O)([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O.O |
| Title of publication | Sodium α-glucoheptonate dihydrate |
| Authors of publication | Park, Young Ja; Lee, Bo Hyung |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 12 - 13 |
| a | 6.181 ± 0.001 Å |
| b | 9.2 ± 0.001 Å |
| c | 10.691 ± 0.001 Å |
| α | 90° |
| β | 102.94 ± 0.01° |
| γ | 90° |
| Cell volume | 592.51 ± 0.13 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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