Information card for entry 4133306

Structure parameters

• Formula: C27 H24 F3 N4 O4
• Calculated formula: C27 H24 F3 N4 O4
• SMILES: c1(ccc(C(F)(F)F)cc1)C[C@H](c1ccccc1)C[C@H]1CCC[C@@H]1/N=N/c1c(N(=O)=O)cc(N(=O)=O)cc1.c1(ccc(C(F)(F)F)cc1)C[C@@H](c1ccccc1)C[C@@H]1CCC[C@H]1/N=N/c1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: Synergistic Bimetallic Ni/Ag and Ni/Cu Catalysis for Regioselective γ,δ-Diarylation of Alkenyl Ketimines: Addressing β-H Elimination by in Situ Generation of Cationic Ni(II) Catalysts.
• Authors of publication: Basnet, Prakash; Kc, Shekhar; Dhungana, Roshan K.; Shrestha, Bijay; Boyle, Timothy J.; Giri, Ramesh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 46
• Pages of publication: 15586 - 15590
• a: 15.571 ± 0.003 Å
• b: 9.728 ± 0.002 Å
• c: 16.373 ± 0.004 Å
• α: 90°
• β: 100.123 ± 0.008°
• γ: 90°
• Cell volume: 2441.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1836
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No