Information card for entry 4080401

Structure parameters

• Formula: C28 H38 B P
• Calculated formula: C28 H38 B P
• SMILES: [P]([BH3])(C1CC2c3ccccc3C1c1ccccc21)(C1CCCCC1)C1CCCCC1
• Title of publication: Electron-Rich Trialkyl-Type Dihydro-KITPHOS Monophosphines: Efficient Ligands for Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling. Comparison with Their Biaryl-Like KITPHOS Monophosphine Counterparts
• Authors of publication: Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Bittner, Dror M.; Wills, Corinne; McFarlane, William; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1773
• a: 9.5099 ± 0.0006 Å
• b: 32.01 ± 0.003 Å
• c: 7.6128 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2317.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No