Information card for entry 2205698

Structure parameters

• Chemical name: 1-(2-furyl)-3-phenyl-2-propen-1-one
• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: c1ccccc1/C=C/C(=O)c1ccco1
• Title of publication: 1-(2-Furyl)-3-phenyl-2-propen-1-one
• Authors of publication: Ocak Ískeleli, Nazan; Işık, Şamil; Özdemir, Zuhal; Bilgin, Altan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1278 - o1279
• a: 10.4874 ± 0.001 Å
• b: 12.1216 ± 0.0014 Å
• c: 16.3091 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.108
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes