Information card for entry 2222617

Structure parameters

• Chemical name: (4<i>S</i>,5<i>S</i>)-2-(4-Chlorophenyl)-1,3-dioxolane-4,5-dicarboxamide
• Formula: C11 H11 Cl N2 O4
• Calculated formula: C11 H11 Cl N2 O4
• SMILES: Clc1ccc(cc1)C1O[C@@H]([C@H](O1)C(=O)N)C(=O)N
• Title of publication: (4<i>S</i>,5<i>S</i>)-2-(4-Chlorophenyl)-1,3-dioxolane-4,5-dicarboxamide
• Authors of publication: Wang, De-Cai; Bai, Jing; Xu, Wei; Gai, Tao; Liu, Hua-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1960
• a: 9.278 ± 0.0019 Å
• b: 4.76 ± 0.001 Å
• c: 13.245 ± 0.003 Å
• α: 90°
• β: 93.15 ± 0.03°
• γ: 90°
• Cell volume: 584.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes