Information card for entry 4132058

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: O=c1n2c(cc3c1cccc3)C[C@@H](CC2)c1ccccc1
• 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: 12.3598 ± 0.0005 Å
• b: 8.1021 ± 0.0003 Å
• c: 14.4042 ± 0.0005 Å
• α: 90°
• β: 104.805 ± 0.004°
• γ: 90°
• Cell volume: 1394.55 ± 0.09 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 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: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No