Information card for entry 2213586

Structure parameters

• Chemical name: Ethyl (2E)-3-oxo-2-(pyrrolidin-2-ylidene)butanoate
• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: CCOC(=O)/C(=C1\CCCN1)C(=O)C
• Title of publication: Ethyl (2<i>E</i>)-3-oxo-2-(pyrrolidin-2-ylidene)butanoate
• Authors of publication: Fernandes, Manuel A.; Michael, Joseph P.; Perry, Christopher B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2380 - o2382
• a: 7.5637 ± 0.0003 Å
• b: 5.2527 ± 0.0003 Å
• c: 25.4713 ± 0.0013 Å
• α: 90°
• β: 97.554 ± 0.003°
• γ: 90°
• Cell volume: 1003.19 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes