Information card for entry 4105491

Structure parameters

• Formula: C23 H24 O
• Calculated formula: C23 H24 O
• SMILES: O=C1[C@@](CCc2c1cccc2)([C@@H]1C[C@@H](CC=C1)c1ccccc1)C
• Title of publication: Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation of Enol Carbonates
• Authors of publication: Barry M. Trost; Jiayi Xu; Thomas Schmidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18343 - 18357
• a: 10.102 ± 0.01 Å
• b: 5.802 ± 0.006 Å
• c: 15.213 ± 0.015 Å
• α: 90°
• β: 103.938 ± 0.017°
• γ: 90°
• Cell volume: 865.4 ± 1.5 ų
• Cell temperature: 168 K
• Ambient diffraction temperature: 168 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No