Information card for entry 4132376

Structure parameters

• Formula: C22 H24 N4 O4
• Calculated formula: C22 H24 N4 O4
• Title of publication: Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade.
• Authors of publication: Wang, Chengpeng; Dong, Guangbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 19
• Pages of publication: 6057 - 6061
• a: 8.7271 ± 0.0016 Å
• b: 13.977 ± 0.003 Å
• c: 16.68 ± 0.003 Å
• α: 92.757 ± 0.005°
• β: 98.833 ± 0.005°
• γ: 91.076 ± 0.005°
• Cell volume: 2007.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1255
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No