Information card for entry 4132059

Structure parameters

• Formula: C55 H55 Cl3 N2 Ni
• Calculated formula: C55 H55 Cl3 N2 Ni
• Title of publication: Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.
• Authors of publication: Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 13
• Pages of publication: 4489 - 4493
• a: 13.46881 ± 0.00019 Å
• b: 23.5381 ± 0.0003 Å
• c: 14.6728 ± 0.0002 Å
• α: 90°
• β: 96.9576 ± 0.0013°
• γ: 90°
• Cell volume: 4617.47 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No