Information card for entry 2231452

Structure parameters

• Chemical name: 5-(Biphenyl-4-yl)-3-(3-methoxybenzylidene)furan-2(3<i>H</i>)-one
• Formula: C24 H18 O3
• Calculated formula: C24 H18 O3
• SMILES: O1C(=CC(=C\c2cc(OC)ccc2)/C1=O)c1ccc(c2ccccc2)cc1
• Title of publication: 5-(Biphenyl-4-yl)-3-(3-methoxybenzylidene)furan-2(3<i>H</i>)-one
• Authors of publication: Jasinski, Jerry P.; Golen, James A.; Dayananda, A. S.; Yathirajan, H. S.; Mishra, Ravinesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2294 - o2295
• a: 19.8766 ± 0.0008 Å
• b: 6.9914 ± 0.0003 Å
• c: 13.2603 ± 0.0006 Å
• α: 90°
• β: 107.735 ± 0.004°
• γ: 90°
• Cell volume: 1755.15 ± 0.14 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes