Information card for entry 1503424

Structure parameters

• Common name: phenylfuran
• Chemical name: 5-benzyl-2-(4'-methoxyphenyl)-3-phenylfuran
• Formula: C24 H20 O2
• Calculated formula: C24 H20 O2
• SMILES: o1c(cc(c2ccccc2)c1c1ccc(OC)cc1)Cc1ccccc1
• Title of publication: Transmetalation of Z-telluroenynes: stereoselective synthesis of Z-enynols and their application in palladium-catalyzed cyclization.
• Authors of publication: Schneider, Caroline C.; Caldeira, Helton; Gay, Bibiana M.; Back, Davi F.; Zeni, Gilson
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 936 - 939
• a: 9.911 Å
• b: 10.101 Å
• c: 11.103 Å
• α: 68.09°
• β: 70.35°
• γ: 68.86°
• Cell volume: 935.354 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No