Information card for entry 7039531

Structure parameters

• Common name: 1-diphenylphosphino-8-triphenylstibonium-naphthalene-triflate
• Chemical name: 1-diphenylphosphino-8-triphenylstibonium-naphthalene-triflate
• Formula: C41 H31 F3 O3 P S Sb
• Calculated formula: C41 H31 F3 O3 P S Sb
• SMILES: [Sb]1([P+](c2c3c(cccc13)ccc2)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
• Title of publication: Antimony(v) cations for the selective catalytic transformation of aldehydes into symmetric ethers, α,β-unsaturated aldehydes, and 1,3,5-trioxanes.
• Authors of publication: Arias Ugarte, Renzo; Devarajan, Deepa; Mushinski, Ryan M.; Hudnall, Todd W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11150 - 11161
• a: 9.8944 ± 0.0012 Å
• b: 21.026 ± 0.003 Å
• c: 17.789 ± 0.002 Å
• α: 90°
• β: 96.496 ± 0.007°
• γ: 90°
• Cell volume: 3677.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No