Information card for entry 2218193

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Hydroxy-3-methoxybenzylidene)-4-(4-hydroxyphenyl)pyrrolidin- 2-one
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: N1C(=O)C(=C/c2cc(OC)c(O)cc2)/C(C1)c1ccc(O)cc1
• Title of publication: (<i>E</i>)-3-(4-Hydroxy-3-methoxybenzylidene)-4-(4-hydroxyphenyl)pyrrolidin-2-one
• Authors of publication: Zhou, Yi-Feng; Wang, Xiao-Bing; Qi, Jin; Yu, Bo-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o814
• a: 6.388 ± 0.001 Å
• b: 14.52 ± 0.002 Å
• c: 16.88 ± 0.002 Å
• α: 90°
• β: 96.514 ± 0.002°
• γ: 90°
• Cell volume: 1555.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes