Information card for entry 1516047

Structure parameters

• Chemical name: 3‒Benzoyl‒2,4‒diphenyl‒4,5‒dihydrofuran
• Formula: C23 H18 O2
• Calculated formula: C23 H18 O2
• SMILES: O1C(=C(C(C1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Reaction of Corey Ylide with α,β-Unsaturated Ketones: Tuning of Chemoselectivity toward Dihydrofuran Synthesis.
• Authors of publication: Chagarovsky, Alexey O.; Budynina, Ekaterina M.; Ivanova, Olga A.; Villemson, Elena V.; Rybakov, Victor B.; Trushkov, Igor V.; Melnikov, Mikhail Ya
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2830 - 2833
• a: 9.661 ± 0.003 Å
• b: 9.9907 ± 0.0014 Å
• c: 10.7602 ± 0.0015 Å
• α: 63.28 ± 0.02°
• β: 80.45 ± 0.02°
• γ: 70.81 ± 0.02°
• Cell volume: 875.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0505
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No