Information card for entry 2218788

Structure parameters

• Chemical name: Benzyl 2,5-dioxopyrrolidin-1-yl carbonate
• Formula: C12 H11 N O5
• Calculated formula: C12 H11 N O5
• SMILES: O=C(OCc1ccccc1)ON1C(=O)CCC1=O
• Title of publication: Benzyl 2,5-dioxopyrrolidin-1-yl carbonate
• Authors of publication: Hu, An-Fu; Ji, Tao; Gao, Yu-Xing; Xu, Peng-Xiang; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1326
• a: 12.9348 ± 0.0006 Å
• b: 6.0151 ± 0.0003 Å
• c: 16.5398 ± 0.0009 Å
• α: 90°
• β: 106.17 ± 0.005°
• γ: 90°
• Cell volume: 1235.96 ± 0.11 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: 0.061
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes