Information card for entry 4110402

Structure parameters

• Formula: C45 H37 Cl2 F3 O4 P2 Pd S
• Calculated formula: C45 H37 Cl2 F3 O4 P2 Pd S
• Title of publication: A Highly Active Palladium Catalyst for Intermolecular Hydroamination. Factors that Control Reactivity and Additions of Functionalized Anilines to Dienes and Vinylarenes
• Authors of publication: Adam M. Johns; Masaru Utsunomiya; Christopher D. Incarvito; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1828 - 1839
• a: 11.451 ± 0.002 Å
• b: 14.314 ± 0.003 Å
• c: 14.412 ± 0.003 Å
• α: 83.76 ± 0.03°
• β: 67.63 ± 0.03°
• γ: 70.75 ± 0.03°
• Cell volume: 2062 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No