Information card for entry 4120196

Structure parameters

• Common name: bis(2,6-diisopropylphenyl)phenylphosphine sulfide
• Chemical name: sulfido bis(2,6-diisopropylphenyl)phenylphosphane(V)
• Formula: C30 H39 P S
• Calculated formula: C30 H39 P S
• SMILES: S=P(c1c(cccc1C(C)C)C(C)C)(c1c(cccc1C(C)C)C(C)C)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: 9.574 ± 0.002 Å
• b: 9.592 ± 0.003 Å
• c: 16.439 ± 0.006 Å
• α: 97.676 ± 0.016°
• β: 96.38 ± 0.02°
• γ: 113.27 ± 0.02°
• Cell volume: 1352 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No