Information card for entry 4515461

Structure parameters

• Formula: C20 H27 N3 O2
• Calculated formula: C20 H27 N3 O2
• Title of publication: Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds
• Authors of publication: van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M.
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 224
• a: 9.4368 ± 0.0007 Å
• b: 11.2965 ± 0.0007 Å
• c: 18.1549 ± 0.0011 Å
• α: 81.081 ± 0.004°
• β: 81.652 ± 0.004°
• γ: 73.77 ± 0.003°
• Cell volume: 1825.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No