Information card for entry 4022801

Structure parameters

• Formula: C26 H57 N5 P2
• Calculated formula: C26 H57 N5 P2
• SMILES: P12(N(CCN(CCN1CC(C)C)CCN2CC(C)C)CC(C)C)=NP(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Characterization of R~2~PN=P(^i^BuNCH~2~CH~2~)~3~N: A New Bulky Electron-Rich Phosphine for Efficient Pd-Assisted Suzuki-Miyaura Cross-Coupling Reactions
• Authors of publication: Jesudoss V. Kingston; John G. Verkade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2816 - 2822
• a: 10.0374 ± 0.0018 Å
• b: 10.3404 ± 0.0019 Å
• c: 16.234 ± 0.003 Å
• α: 89.909 ± 0.003°
• β: 86.599 ± 0.003°
• γ: 66.722 ± 0.003°
• Cell volume: 1544.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No