Information card for entry 4022799

Structure parameters

• Formula: C18 H39 I2 N4 P
• Calculated formula: C18 H39 I2 N4 P
• SMILES: IP123N(CC[N+]3(CCN1CC(C)C)CCN2CC(C)C)CC(C)C.[I-]
• 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: 16.65 ± 0.003 Å
• b: 10.1806 ± 0.0019 Å
• c: 16.742 ± 0.003 Å
• α: 90°
• β: 118.77 ± 0.003°
• γ: 90°
• Cell volume: 2487.6 ± 0.8 ų
• Cell temperature: 197 ± 2 K
• Ambient diffraction temperature: 197 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No