Information card for entry 2234409

Structure parameters

• Chemical name: (4<i>R</i>*,5<i>R</i>*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate
• Formula: C15 H17 N O8
• Calculated formula: C15 H17 N O8
• SMILES: N(=O)(=O)c1ccc(cc1)C1O[C@H]([C@@H](O1)C(=O)OCC)C(=O)OCC
• Title of publication: (4<i>R</i>*,5<i>R</i>*)-Diethyl 2-(4-nitrophenyl)-1,3-dioxolane-4,5-dicarboxylate
• 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: 4
• Pages of publication: o1128
• a: 12.261 ± 0.003 Å
• b: 4.52 ± 0.0009 Å
• c: 15.656 ± 0.003 Å
• α: 90°
• β: 112.27 ± 0.03°
• γ: 90°
• Cell volume: 802.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes