Information card for entry 2206728

Structure parameters

• Chemical name: Ethyl 2,5-diphenylfuran-3-carboxylate
• Formula: C19 H16 O3
• Calculated formula: C19 H16 O3
• SMILES: c1ccccc1c1c(cc(c2ccccc2)o1)C(=O)OCC
• Title of publication: Ethyl 2,5-diphenylfuran-3-carboxylate
• Authors of publication: Meng, Xiang-Gao; Wu, An-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2808 - o2809
• a: 9.6272 ± 0.0009 Å
• b: 15.0692 ± 0.0014 Å
• c: 21.286 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3088 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1186
• 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