Information card for entry 4022800

Structure parameters

• Formula: C18 H39 N5 P
• Calculated formula: C18 H39 N5 P
• SMILES: P12(N(CCN(CCN1CC(C)C)CCN2CC(C)C)CC(C)C)=N
• 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: 20.503 ± 0.004 Å
• b: 11.297 ± 0.002 Å
• c: 18.369 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4254.6 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No