Information card for entry 4022807

Structure parameters

• Chemical name: (1,1-diphenylprop-1-en-2-yl)methylphenylphosphine-borane
• Formula: C22 H24 B P
• Calculated formula: C22 H24 B P
• SMILES: [P]([BH3])(C)(c1ccccc1)C(=C(c1ccccc1)c1ccccc1)C
• 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: 15.4488 ± 0.0003 Å
• b: 12.4809 ± 0.0002 Å
• c: 19.826 ± 0.0004 Å
• α: 90°
• β: 98.374 ± 0.001°
• γ: 90°
• Cell volume: 3781.99 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No