Information card for entry 4025971

Structure parameters

• Chemical name: Diethyl r-4-benzoyl-t-2-(4-anisyl)-c-5-phenyltetrahydrofuran-3,3-dicarboxylate
• Formula: C30 H30 O7
• Calculated formula: C30 H30 O7
• SMILES: c1(ccccc1)C(=O)[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccc(cc2)OC)C1(C(=O)OCC)C(=O)OCC.c1(ccccc1)C(=O)[C@H]1[C@@H](c2ccccc2)O[C@H](c2ccc(cc2)OC)C1(C(=O)OCC)C(=O)OCC
• 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: 25.425 ± 0.008 Å
• b: 8.233 ± 0.003 Å
• c: 16.032 ± 0.005 Å
• α: 90°
• β: 128.514 ± 0.003°
• γ: 90°
• Cell volume: 2625.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No