Information card for entry 2223103

Structure parameters

• Chemical name: (4<i>S</i>,5<i>S</i>)-2-(3-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
• Formula: C12 H14 N2 O5
• Calculated formula: C12 H14 N2 O5
• SMILES: O(C)c1cccc(c1)C1O[C@@H]([C@H](O1)C(=O)N)C(=O)N
• Title of publication: (4<i>S</i>,5<i>S</i>)-2-(3-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
• Authors of publication: Wang, De-Cai; Ge, Tao; Wu, Wen-Yuan; Xu, Wei; Yang, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2230
• a: 9.234 ± 0.0018 Å
• b: 9.852 ± 0.002 Å
• c: 14.266 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1297.8 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes