Information card for entry 4023278

Structure parameters

• Formula: C25 H24 O4
• Calculated formula: C25 H24 O4
• SMILES: O1[C@H](O[C@](C(=O)OCC)(Cc2ccccc2)[C@H]1c1ccccc1)c1ccccc1.O1[C@@H](O[C@@](C(=O)OCC)(Cc2ccccc2)[C@@H]1c1ccccc1)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: 8.462 ± 0.004 Å
• b: 9.852 ± 0.005 Å
• c: 24.897 ± 0.012 Å
• α: 90°
• β: 94.67 ± 0.007°
• γ: 90°
• Cell volume: 2068.9 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No