Information card for entry 4131144

Structure parameters

• Common name: SY4-140
• Chemical name: hartwig130
• Formula: C28 H27 Ag F O4 P
• Calculated formula: C28 H27 Ag F O4 P
• SMILES: c1(c(ccc(c1)F)OC)[Ag][P](c1c(cccc1)OC)(c1ccccc1OC)c1ccccc1OC
• 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: 13.992 ± 0.0006 Å
• b: 15.0661 ± 0.0007 Å
• c: 15.6337 ± 0.0007 Å
• α: 118.564 ± 0.002°
• β: 91.606 ± 0.002°
• γ: 113.393 ± 0.002°
• Cell volume: 2557.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No