Information card for entry 4023279

Structure parameters

• Formula: C25 H22 Cl2 O4
• Calculated formula: C25 H22 Cl2 O4
• SMILES: Clc1c([C@@H]2O[C@@H](O[C@]2(Cc2ccccc2)C(=O)OCC)c2c(Cl)cccc2)cccc1.Clc1c([C@H]2O[C@H](O[C@@]2(Cc2ccccc2)C(=O)OCC)c2c(Cl)cccc2)cccc1
• Title of publication: Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination
• Authors of publication: Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1435 - 1439
• a: 7.9089 ± 0.0015 Å
• b: 19.01 ± 0.004 Å
• c: 28.786 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4327.8 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No