Information card for entry 2005941

Structure parameters

• Common name: α,β-trehalose monohydrate
• Formula: C12 H24 O12
• Calculated formula: C12 H24 O12
• SMILES: OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O.O
• Title of publication: α,β-Trehalose Monohydrate
• Authors of publication: Taga, T.; Miwa, Y.; Min, Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 234 - 236
• a: 9.77 ± 0.003 Å
• b: 8.575 ± 0.005 Å
• c: 10.096 ± 0.002 Å
• α: 90°
• β: 111.68 ± 0.02°
• γ: 90°
• Cell volume: 786 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• 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: 0.041
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No