Information card for entry 2236021

Structure parameters

• Chemical name: 6,6'-Oxybis[2-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4,5-triol] dihydrate
• Formula: C12 H26 O13
• Calculated formula: C12 H26 O13
• SMILES: O1[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO.O.O
• Title of publication: Trehalose dihydrate from <i>Tremella fuciformis</i>
• Authors of publication: Liu, Wei; Yan, Jun; Song, Qin; Gou, Xiao-Jun; Chen, Feng-Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2511
• a: 7.6012 ± 0.0003 Å
• b: 12.238 ± 0.0004 Å
• c: 17.8839 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.62 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0401
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes