Information card for entry 2214079

Structure parameters

• Chemical name: α-D-glucosamine hydrochloride
• Formula: C6 H14 Cl N O5
• Calculated formula: C6 H14 Cl N O5
• SMILES: [C@H]1([C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[NH3+])O.[Cl-]
• Title of publication: Redetermination of α-<small>D</small>-glucosamine hydrochloride: elucidation of the hydrogen-bonding scheme
• Authors of publication: Harrison, William T. A.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3248 - o3248
• a: 7.1474 ± 0.0005 Å
• b: 9.214 ± 0.0006 Å
• c: 7.765 ± 0.0005 Å
• α: 90°
• β: 112.884 ± 0.001°
• γ: 90°
• Cell volume: 471.12 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes