Information card for entry 4120193

Structure parameters

• Common name: diphenyl(2,6-diisopropylphenyl)phosphine sulfide
• Chemical name: sulfido-diphenyl(2,6-diisopropylphenyl)phosphane(V)
• Formula: C24 H27 P S
• Calculated formula: C24 H27 P S
• SMILES: S=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: 8.98 ± 0.003 Å
• b: 14.34 ± 0.006 Å
• c: 16.412 ± 0.005 Å
• α: 90°
• β: 92.64 ± 0.02°
• γ: 90°
• Cell volume: 2111.2 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No