Information card for entry 2220242

Structure parameters

• Chemical name: (4<i>S</i>,5<i>S</i>)-2-(2-Fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide
• Formula: C11 H11 F N2 O4
• Calculated formula: C11 H11 F N2 O4
• SMILES: O1C(O[C@H]([C@@H]1C(=O)N)C(=O)N)c1c(F)cccc1
• Title of publication: (4<i>S</i>,5<i>S</i>)-2-(2-Fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide
• Authors of publication: Li, Xin-Hua; Wang, De-Cai; Liu, Bo-Nian; Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2499
• a: 4.876 ± 0.0005 Å
• b: 9.129 ± 0.0007 Å
• c: 24.816 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1104.63 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes