Information card for entry 7154266

Structure parameters

• Common name: PNP Pincer Pd
• Chemical name: PN tBuMePdCl2
• Formula: C17 H31 Cl2 N P2 Pd
• Calculated formula: C17 H31 Cl2.003 N P2 Pd
• Title of publication: P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.
• Authors of publication: Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2694 - 2702
• a: 7.2904 ± 0.0003 Å
• b: 10.5177 ± 0.0004 Å
• c: 31.1288 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2386.9 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No