Information card for entry 4022805

Structure parameters

• Chemical name: (cyclohex-1-en-1-yl)diphenyl phosphine borane
• Formula: C18 H22 B P
• Calculated formula: C18 H22 B P
• Title of publication: Palladium-Catalyzed C-P Coupling Reactions between Vinyl Triflates and Phosphine-Boranes: Efficient Access to Vinylphosphine-Boranes
• Authors of publication: Delphine Julienne; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2247 - 2250
• a: 9.3997 ± 0.0007 Å
• b: 10.0174 ± 0.0008 Å
• c: 17.1329 ± 0.0014 Å
• α: 90°
• β: 92.718 ± 0.004°
• γ: 90°
• Cell volume: 1611.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No