Information card for entry 2220092

Structure parameters

• Chemical name: Ethyl 2-[4-(benzyloxy)anilino]-4-oxo-4,5-dihydrofuran-3-carboxylate
• Formula: C20 H19 N O5
• Calculated formula: C20 H19 N O5
• SMILES: C1C(=O)C(=C(Nc2ccc(cc2)OCc2ccccc2)O1)C(=O)OCC
• Title of publication: Ethyl 2-[4-(benzyloxy)anilino]-4-oxo-4,5-dihydrofuran-3-carboxylate
• Authors of publication: Nirmala, S.; Murugan, R.; Kamala, E. Theboral Sugi; Sudha, L.; Narayanan, S. Sriman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2315
• a: 9.1315 ± 0.0003 Å
• b: 10.404 ± 0.0003 Å
• c: 11.1162 ± 0.0004 Å
• α: 84.848 ± 0.002°
• β: 66.436 ± 0.002°
• γ: 64.121 ± 0.002°
• Cell volume: 866.34 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes