Information card for entry 2004618

Structure parameters

• Formula: C12 H24 O6
• Calculated formula: C12 H24 O6
• SMILES: CCO[C@]1(C)O[C@@H](CO)[C@@H](O[C@@]1(C)OCC)CO
• Title of publication: (2<i>R</i>,3<i>R</i>,5<i>S</i>,6<i>S</i>)-2,3-Diethoxy-5,6-bis(hydroxymethyl)-2,3-dimethyl-1,4-dioxane
• Authors of publication: Berens, U.; Raabe, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 669 - 672
• a: 6.078 ± 0.001 Å
• b: 9.996 ± 0.002 Å
• c: 23.888 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1451.3 ± 0.4 ų
• Cell temperature: 293 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 2.284
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No