Information card for entry 2009743

Structure parameters

• Common name: 1-deoxynojirimycin hydrochloride
• Chemical name: 1,5-Dideoxy-1,5-iminium-glucitol chloride
• Formula: C6 H14 Cl N O4
• Calculated formula: C6 H14 Cl N O4
• SMILES: [Cl-].O[C@H]1C[NH2+][C@@H]([C@@H](O)[C@@H]1O)CO
• Title of publication: 1-Deoxynojirimycin hydrochloride
• Authors of publication: Linden, Anthony; Hoos, Roland; Vasella, Andrea
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 746 - 749
• a: 6.648 ± 0.003 Å
• b: 20.473 ± 0.005 Å
• c: 6.4 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 871.1 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0285
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.025
• Goodness-of-fit parameter for significantly intense reflections: 1.583
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No