Information card for entry 2214390

Structure parameters

• Chemical name: Ethyl (2E)-[1-(4-methoxyphenyl)pyrrolidin-2-ylidene]acetate
• Formula: C15 H19 N O3
• Calculated formula: C15 H19 N O3
• SMILES: C(=O)(/C=C1\CCCN1c1ccc(cc1)OC)OCC
• Title of publication: Ethyl (2<i>E</i>)-[1-(4-methoxyphenyl)pyrrolidin-2-ylidene]acetate
• 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: 7
• Pages of publication: o3139 - o3140
• a: 9.7056 ± 0.0004 Å
• b: 9.7763 ± 0.0003 Å
• c: 15.0413 ± 0.0005 Å
• α: 93.126 ± 0.002°
• β: 92.987 ± 0.002°
• γ: 103.301 ± 0.002°
• Cell volume: 1383.77 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes