Information card for entry 4024178

Structure parameters

• Common name: PdCl2(t-Bu-QuinoxP*)
• Chemical name: [(R,R)-2,3-bis((tert-butyl)methylphosphino)quinoxaline]dichloropalladium
• Formula: C38 H60 Cl8 N4 P4 Pd2
• Calculated formula: C19 H30 Cl4 N2 P2 Pd
• SMILES: [Pd]1([P@@](C)(C(C)(C)C)c2nc3c(nc2[P@]1(C)C(C)(C)C)cccc3)(Cl)Cl.ClCCl
• Title of publication: t-Bu-QuinoxP* Ligand: Applications in Asymmetric Pd-Catalyzed Allylic Substitution and Ru-Catalyzed Hydrogenation
• Authors of publication: Tsuneo Imamoto; Miwako Nishimura; Aya Koide; Kazuhiro Yoshida
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7413 - 7416
• a: 7.9747 ± 0.0003 Å
• b: 15.2901 ± 0.0006 Å
• c: 10.4868 ± 0.0004 Å
• α: 90.01°
• β: 99.03°
• γ: 90°
• Cell volume: 1262.86 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No