Information card for entry 1503425

Structure parameters

• Common name: dihydrofuran
• Chemical name: (E)-5-benzylidene-2-isobutyl-2-methyl-3-phenyl-2,5-dihydrofuran
• Formula: C22 H24 O
• Calculated formula: C22 H24 O
• SMILES: O1C(C(=C/C1=C/c1ccccc1)c1ccccc1)(CC(C)C)C
• 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: 14.9632 ± 0.0011 Å
• b: 18.7349 ± 0.0015 Å
• c: 6.3505 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1780.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No