Information card for entry 4131041

Structure parameters

• Formula: C21 H18 N2 O3 Pd
• Calculated formula: C21 H18 N2 O3 Pd
• Title of publication: Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.
• Authors of publication: Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 44
• Pages of publication: 14705 - 14712
• a: 13.718 ± 0.003 Å
• b: 5.1398 ± 0.0011 Å
• c: 24.816 ± 0.005 Å
• α: 90°
• β: 102.657 ± 0.006°
• γ: 90°
• Cell volume: 1707.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No