Information card for entry 2239318

Structure parameters

• Chemical name: (<i>E</i>)-3-(Oxolan-2-ylidene)-1-phenylpyrrolidine-2,5-dione
• Formula: C14 H13 N O3
• Calculated formula: C14 H13 N O3
• SMILES: O=C1CC(=C2/CCCO2)/C(=O)N1c1ccccc1
• Title of publication: (<i>E</i>)-3-(Oxolan-2-ylidene)-1-phenylpyrrolidine-2,5-dione
• Authors of publication: Shao, Ying; Xia, Yong-An; Wu, Zhu-Hong; Liu, Xiao-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o521
• a: 8.144 ± 0.002 Å
• b: 13.729 ± 0.004 Å
• c: 11.16 ± 0.003 Å
• α: 90°
• β: 105.177 ± 0.008°
• γ: 90°
• Cell volume: 1204.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes