Information card for entry 2215314

Structure parameters

• Chemical name: (<i>S</i>)-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
• Formula: C7 H10 O5
• Calculated formula: C7 H10 O5
• SMILES: C1(=O)[C@H](CC(=O)O)OC(C)(C)O1
• Title of publication: (<i>S</i>)-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
• Authors of publication: Stocksdale, Mark G.; Margaret K. Padgitt; Berg, Michael A. G.; Slebodnick, Carla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3767 - o3768
• a: 5.2406 ± 0.0011 Å
• b: 7.8236 ± 0.0014 Å
• c: 9.718 ± 0.002 Å
• α: 90°
• β: 94.2 ± 0.02°
• γ: 90°
• Cell volume: 397.37 ± 0.14 ų
• Cell temperature: 100 ± 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 significantly intense reflections: 0.0253
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes