Information card for entry 4120189

Structure parameters

• Common name: diphenyl(2,6-diisopropylphenyl)phosphine
• Chemical name: diphenyl(2,6-diisopropylphenyl)phosphane(III)
• Formula: C24 H27 P
• Calculated formula: C24 H27 P
• SMILES: P(c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations
• Authors of publication: John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11205 - 11215
• a: 9.5412 ± 0.0002 Å
• b: 15.319 ± 0.0004 Å
• c: 27.2286 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3979.78 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No