Information card for entry 2221924

Structure parameters

• Common name: 1-<i>O</i>-2,3-isopropylideneglycerol hemisuccinate
• Chemical name: 2,2-Dimethyl-1,3-dioxolan-4-ylmethyl 3-carboxypropanoate
• Formula: C10 H16 O6
• Calculated formula: C10 H16 O6
• Title of publication: (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-carboxypropanoate
• Authors of publication: Kuś, Piotr; Rojkiewicz, Marcin; Zieba, Grzegorz; Witoszek, Monika; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1192
• a: 20.765 ± 0.0012 Å
• b: 5.7007 ± 0.0003 Å
• c: 9.6964 ± 0.0007 Å
• α: 90°
• β: 98.658 ± 0.005°
• γ: 90°
• Cell volume: 1134.73 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes