Information card for entry 2214647

Structure parameters

• Chemical name: 2,2-Di-C-methoxy-1,4:3,6-dianhydromannitol
• Formula: C8 H14 O5
• Calculated formula: C8 H14 O5
• SMILES: O1CC(OC)(OC)[C@H]2OC[C@@H](O)[C@@H]12
• Title of publication: 2,2-Di-<i>C</i>-methoxy-1,4:3,6-dianhydromannitol
• Authors of publication: Quan-Jian Lv; Xue-Hui Hou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3653 - o3653
• a: 6.4996 ± 0.0013 Å
• b: 6.3375 ± 0.0013 Å
• c: 10.983 ± 0.002 Å
• α: 90°
• β: 93.07 ± 0.03°
• γ: 90°
• Cell volume: 451.75 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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 all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes