Information card for entry 2222490

Structure parameters

• Chemical name: (<i>R</i>)-2-[(<i>R</i>)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one
• Formula: C8 H12 O4 S
• Calculated formula: C8 H12 O4 S
• SMILES: S1CC(=O)O[C@H]1[C@@H]1OC(OC1)(C)C
• Title of publication: (<i>R</i>)-2-[(<i>R</i>)-2,2-Dimethyl-1,3-dioxolan-4-yl]-1,3-oxathiolan-5-one
• Authors of publication: Wu, Qin-Pei; Shi, Da-Xin; Wang, Hao; Zhang, Qing-Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1483
• a: 6.5528 ± 0.0013 Å
• b: 9.4029 ± 0.0019 Å
• c: 7.924 ± 0.0016 Å
• α: 90°
• β: 106.6 ± 0.03°
• γ: 90°
• Cell volume: 467.89 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes