Information card for entry 2205445

Structure parameters

• Common name: metaldehyde
• Chemical name: 2,4,6,8-tetramethyl-1,3,5,7-tetroxocane
• Formula: C8 H16 O4
• Calculated formula: C8 H16 O4
• SMILES: C[C@@H]1O[C@H](C)O[C@@H](O[C@@H](O1)C)C
• Title of publication: A low-temperature redetermination of metaldehyde
• Authors of publication: Barnett, Sarah A.; Hulme, Ashley T.; Tocher, Derek A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o857 - o859
• a: 10.4974 ± 0.001 Å
• b: 10.4974 ± 0.001 Å
• c: 4.0967 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 451.44 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes