Information card for entry 4025966

Structure parameters

• Chemical name: Diethyl r-4-benzoyl-c-2,c-5-diphenyltetrahydrofuran-3,3-dicarboxylate
• Formula: C29 H28 O6
• Calculated formula: C29 H28 O6
• SMILES: C(C)OC(=O)C1([C@@H](C(=O)c2ccccc2)[C@H](O[C@H]1c1ccccc1)c1ccccc1)C(=O)OCC.O=C(c1ccccc1)[C@@H]1[C@@H](O[C@H](c2ccccc2)C1(C(=O)OCC)C(=O)OCC)c1ccccc1
• Title of publication: AlCl3-Promoted Highly Regio- and Diastereoselective [3 + 2] Cycloadditions of Activated Cyclopropanes and Aromatic Aldehydes: Construction of 2,5-Diaryl-3,3,4-trisubstituted Tetrahydrofurans
• Authors of publication: Gaosheng Yang; Yue Shen; Kui Li; Yongxian Sun; Yuanyuan Hua
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 229 - 233
• a: 10.529 ± 0.007 Å
• b: 15.041 ± 0.01 Å
• c: 17.359 ± 0.012 Å
• α: 111.84 ± 0.008°
• β: 90.489 ± 0.008°
• γ: 92.944 ± 0.008°
• Cell volume: 2547 ± 3 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: 0.214
• Residual factor for significantly intense reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.3492
• Weighted residual factors for all reflections included in the refinement: 0.402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No