Information card for entry 4024234

Structure parameters

• Formula: C10 H20 O4
• Calculated formula: C10 H20 O4
• SMILES: O[C@H]1[C@](O)([C@H](O)[C@@H](O)[C@H](C1)C(C)C)C
• Title of publication: Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols
• Authors of publication: Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 274 - 282
• a: 6.6 ± 0.003 Å
• b: 9.507 ± 0.004 Å
• c: 17.683 ± 0.007 Å
• α: 90°
• β: 93.003 ± 0.007°
• γ: 90°
• Cell volume: 1108 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No