Information card for entry 4023276

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O1[C@H](O[C@H]([C@@]1(C)C(=O)OCC)c1ccccc1)c1ccccc1.O1[C@@H](O[C@@H]([C@]1(C)C(=O)OCC)c1ccccc1)c1ccccc1
• 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: 10.349 ± 0.003 Å
• b: 8.407 ± 0.003 Å
• c: 18.38 ± 0.005 Å
• α: 90°
• β: 91.688 ± 0.004°
• γ: 90°
• Cell volume: 1598.4 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No