Information card for entry 4132365

Structure parameters

• Formula: C24 H23 F6 O2
• Calculated formula: C24 H23 F6 O2
• SMILES: FC(F)(F)c1cc([C@@H]([C@H]2C(=O)CCCC2)CCc2ccc(OC)cc2)cc(c1)C(F)(F)F
• Title of publication: Ni-Catalyzed Regioselective β,δ-Diarylation of Unactivated Olefins in Ketimines via Ligand-Enabled Contraction of Transient Nickellacycles: Rapid Access to Remotely Diarylated Ketones.
• Authors of publication: Basnet, Prakash; Dhungana, Roshan K.; Thapa, Surendra; Shrestha, Bijay; Kc, Shekhar; Sears, Jeremiah M.; Giri, Ramesh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 25
• Pages of publication: 7782 - 7786
• a: 9.5667 ± 0.0013 Å
• b: 9.7395 ± 0.0011 Å
• c: 23.46 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2185.9 ± 0.5 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99.51 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2225
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No