Information card for entry 2231667

Structure parameters

• Chemical name: 3-(3,4-Dimethoxyphenyl)-4-(2-methoxyanilino)furan-2(5<i>H</i>)-one
• Formula: C19 H19 N O5
• Calculated formula: C19 H19 N O5
• SMILES: c1(ccc(c(c1)OC)OC)C1=C(COC1=O)Nc1c(cccc1)OC
• Title of publication: 3-(3,4-Dimethoxyphenyl)-4-(2-methoxyanilino)furan-2(5<i>H</i>)-one
• Authors of publication: Tian, Chun-Lian; Tian, Qijian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2328
• a: 7.4932 ± 0.0005 Å
• b: 11.5862 ± 0.0007 Å
• c: 18.5744 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1612.59 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes