Information card for entry 2220779

Structure parameters

• Common name: β-D-altropyranose
• Chemical name: (2R,3S,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• Formula: C6 H12 O6
• Calculated formula: C6 H12 O6
• SMILES: [C@@H]1([C@H]([C@@H]([C@@H]([C@@H](CO)O1)O)O)O)O
• Title of publication: β-<small>D</small>-Altrose
• Authors of publication: Watanabe, Yuji; Yoshida, Hiromi; Takeda, Kosei; Ishi, Tomohiko; Kamitori, Shigehiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o280
• a: 7.1749 ± 0.0013 Å
• b: 7.1749 ± 0.0013 Å
• c: 12.7415 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 568.05 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes