Information card for entry 2232522

Structure parameters

• Chemical name: 2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate
• Formula: C11 H9 N O5
• Calculated formula: C11 H9 N O5
• SMILES: o1c(/C=C/C(=O)ON2C(=O)CCC2=O)ccc1
• Title of publication: 2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate
• Authors of publication: Zhu, Haifeng; Guo, Miao; Chen, Han; Jin, Haixiao; Liang, Hongze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2863
• a: 10.3054 ± 0.0013 Å
• b: 9.2376 ± 0.0012 Å
• c: 21.892 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2084.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes