Information card for entry 2234001

Structure parameters

• Chemical name: (4<i>R</i>*,5<i>R</i>*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
• Formula: C12 H14 N2 O5
• Calculated formula: C12 H14 N2 O5
• SMILES: O(C)c1ccc(cc1)C1O[C@H]([C@@H](O1)C(=O)N)C(=O)N
• Title of publication: (4<i>R</i>*,5<i>R</i>*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
• Authors of publication: Lv, Chun-Lei; Chen, Jian-Hui; Zhang, Yu-Zhe; Lu, Ding-Qiang; OuYang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o558
• a: 6.962 ± 0.0014 Å
• b: 10.727 ± 0.002 Å
• c: 16.932 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1264.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes