Information card for entry 4131146

Structure parameters

• Common name: SY4-032
• Chemical name: hartwig121
• Formula: C20 H34 Ag O3 P
• Calculated formula: C20 H34 Ag O3 P
• Title of publication: Palladium-Catalyzed, Site-Selective Direct Allylation of Aryl C-H Bonds by Silver-Mediated C-H Activation: A Synthetic and Mechanistic Investigation.
• Authors of publication: Lee, Sarah Yunmi; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 46
• Pages of publication: 15278 - 15284
• a: 17.5862 ± 0.0005 Å
• b: 10.1733 ± 0.0003 Å
• c: 24.2763 ± 0.0008 Å
• α: 90°
• β: 96.715 ± 0.002°
• γ: 90°
• Cell volume: 4313.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No