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Information card for entry 8101587
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| Coordinates | 8101587.cif |
|---|
| Formula | C6 H16 Cl2 N2 O3 |
|---|---|
| Calculated formula | C6 H16 Cl2 N2 O3 |
| SMILES | [C@@H]1([C@@H](O)[C@@H](O)C[NH2+]1)[C@H](CO)[NH3+].[Cl-].[Cl-] |
| Title of publication | Crystal structure of 5-amino-1,4,5-trideoxy-1,4-imino-L-mannitol bis (hydrochloride), C~6~H~16~Cl~2~N~2~O~3~ |
| Authors of publication | Henkel, Sonja; Kieß, Frank-Michael; Jäger, Volker |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 4 |
| Pages of publication | 569 - 570 |
| a | 7.6 ± 0.001 Å |
| b | 9.184 ± 0.001 Å |
| c | 7.9 ± 0.001 Å |
| α | 90° |
| β | 112.46 ± 0.01° |
| γ | 90° |
| Cell volume | 509.58 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0666 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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