Information card for entry 4022806

Structure parameters

• Chemical name: ((1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)diphenylphosphineborane
• Formula: C22 H28 B P
• Calculated formula: C22 H28 B P
• SMILES: [P](c1ccccc1)(c1ccccc1)(C1=C[C@H]2CC[C@@]1(C2(C)C)C)[BH3]
• 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: 9.44 ± 0.0004 Å
• b: 10.0459 ± 0.0004 Å
• c: 20.4407 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1938.46 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No