Information card for entry 2221395

Structure parameters

• Chemical name: (4<i>S</i>,5<i>S</i>)-2-(2-Bromophenyl)-1,3-dioxolane-4,5-dicarboxamide
• Formula: C11 H11 Br N2 O4
• Calculated formula: C11 H11 Br N2 O4
• SMILES: Brc1ccccc1C1O[C@@H]([C@H](O1)C(=O)N)C(=O)N
• Title of publication: (4<i>S</i>,5<i>S</i>)-2-(2-Bromophenyl)-1,3-dioxolane-4,5-dicarboxamide
• Authors of publication: Liu, Hua-quan; Wang, De-Cai; Xu, Wei; Yang, Zheng; Gai, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o841
• a: 9.415 ± 0.0019 Å
• b: 14.458 ± 0.003 Å
• c: 9.617 ± 0.0019 Å
• α: 90°
• β: 111.14 ± 0.03°
• γ: 90°
• Cell volume: 1221 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1042
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1806
• 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