Information card for entry 4129606

Structure parameters

• Formula: C22 H21 F3 O4
• Calculated formula: C22 H21 F3 O4
• SMILES: FC(F)(F)c1ccc(C[C@H](/C=C/c2ccccc2)C(C(=O)OC)C(=O)OC)cc1
• Title of publication: Enantioselective 1,2-Difunctionalization of Dienes Enabled by Chiral Palladium Complex-Catalyzed Cascade Arylation/Allylic Alkylation Reaction.
• Authors of publication: Wu, Xiang; Lin, Hua-Chen; Li, Ming-Li; Li, Lu-Lu; Han, Zhi-Yong; Gong, Liu-Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 42
• Pages of publication: 13476 - 13479
• a: 9.3002 ± 0.001 Å
• b: 5.7332 ± 0.0006 Å
• c: 37.635 ± 0.004 Å
• α: 90°
• β: 96.688 ± 0.007°
• γ: 90°
• Cell volume: 1993 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No