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Information card for entry 2204334
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| Coordinates | 2204334.cif |
|---|---|
| Structure factors | 2204334.hkl |
| Original IUCr paper | HTML |
| Chemical name | (+)-(1S,2S,3S,4R,5R)-1-Ammonio-5-hydroxymethylcyclohexane-2,3,4-triol chloride |
|---|---|
| Formula | C7 H16 Cl N O4 |
| Calculated formula | C7 H16 Cl N O4 |
| Title of publication | (+)-(1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1-Ammonio-5-hydroxymethylcyclohexane-2,3,4-triol chloride |
| Authors of publication | Hongjie Chang; Jiarong Zhu; Xiaolong Feng; Huaidong Xu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o1712 - o1714 |
| a | 6.6151 ± 0.0008 Å |
| b | 10.3964 ± 0.0012 Å |
| c | 13.9546 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 959.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.308 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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