Information card for entry 4023283

Structure parameters

• Formula: C33 H28 O4
• Calculated formula: C33 H28 O4
• SMILES: O1[C@H](O[C@@]([C@H]1c1ccc2ccccc2c1)(C(=O)OCC)Cc1ccccc1)c1cc2ccccc2cc1.O1[C@@H](O[C@]([C@@H]1c1ccc2ccccc2c1)(C(=O)OCC)Cc1ccccc1)c1cc2ccccc2cc1
• 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: 16.765 ± 0.009 Å
• b: 12.101 ± 0.007 Å
• c: 25.379 ± 0.014 Å
• α: 90°
• β: 104.041 ± 0.009°
• γ: 90°
• Cell volume: 4995 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No