Information card for entry 7152192

Structure parameters

• Common name: compound 9
• Chemical name: 3-(Dimethylisopropylsilyl)biphenyl-2-yl]diphenylphosphine
• Formula: C29 H31 O0.47 P Si
• Calculated formula: C29 H31 O0.471 P Si
• Title of publication: Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects.
• Authors of publication: Lunazzi, Lodovico; Mancinelli, Michele; Mazzanti, Andrea; Lepri, Susan; Ruzziconi, Renzo; Schlosser, Manfred
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1847 - 1855
• a: 12.3538 ± 0.0014 Å
• b: 11.1227 ± 0.0012 Å
• c: 18.446 ± 0.002 Å
• α: 90°
• β: 91.746 ± 0.001°
• γ: 90°
• Cell volume: 2533.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No