Information card for entry 2212961

Structure parameters

• Chemical name: 1-Deoxy-β-L-fructopyranose monohydrate
• Formula: C6 H14 O6
• Calculated formula: C6 H14 O6
• SMILES: [C@@]1([C@@H]([C@H]([C@H](CO1)O)O)O)(O)C.O
• Title of publication: 1-Deoxy-β-<small>L</small>-fructopyranose monohydrate
• Authors of publication: Izumori, Ken; Jenkinson, Sarah F.; Watkin, David J.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1882 - o1884
• a: 6.7824 ± 0.0002 Å
• b: 9.6297 ± 0.0003 Å
• c: 12.0727 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 788.5 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes