Information card for entry 4025968

Structure parameters

• Chemical name: Diethyl r-4-benzoyl-t-2,t-5-diphenyltetrahydrofuran-3,3-dicarboxylate
• Formula: C29 H28 O6
• Calculated formula: C29 H28 O6
• SMILES: O(C(=O)C1(C(=O)OCC)[C@@H](C(=O)c2ccccc2)[C@@H](O[C@@H]1c1ccccc1)c1ccccc1)CC.O(C(=O)C1(C(=O)OCC)[C@H](C(=O)c2ccccc2)[C@H](O[C@H]1c1ccccc1)c1ccccc1)CC
• 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: 9.752 ± 0.003 Å
• b: 11.53 ± 0.003 Å
• c: 13.417 ± 0.006 Å
• α: 106.912 ± 0.004°
• β: 101.977 ± 0.004°
• γ: 110.918 ± 0.003°
• Cell volume: 1263.8 ± 0.8 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: 0.0676
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No