Information card for entry 4028283

Structure parameters

• Chemical name: Diethyl r-4-benzoyl-t-2-(2,4-dichlorophenyl)-t-5-phenyltetrahydrofuran -3,3-dicarboxylate
• Formula: C29 H26 Cl2 O6
• Calculated formula: C29 H26 Cl2 O6
• SMILES: c1ccccc1[C@@H]1O[C@@H](C([C@H]1C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)c1ccc(Cl)cc1Cl.c1ccccc1[C@H]1O[C@H](C([C@@H]1C(=O)c1ccccc1)(C(=O)OCC)C(=O)OCC)c1ccc(Cl)cc1Cl
• Title of publication: cis-2,3-Disubstituted Cyclopropane 1,1-Diesters in [3 + 2] Annulations with Aldehydes: Highly Diastereoselective Construction of Densely Substituted Tetrahydrofurans
• Authors of publication: Gaosheng Yang; Yongxian Sun; Yue Shen; Zhuo Chai; Shuangliu Zhou; Jiang Chu; Jun Chai
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5393 - 5400
• a: 8.3298 ± 0.0011 Å
• b: 11.5891 ± 0.0015 Å
• c: 15.56 ± 0.002 Å
• α: 69.581 ± 0.002°
• β: 87.931 ± 0.002°
• γ: 77.008 ± 0.002°
• Cell volume: 1370.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No