Information card for entry 4105782

Structure parameters

• Formula: C20 H44 P4 S W
• Calculated formula: C20 H44 P4 S W
• SMILES: [WH3]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)c1cc2c(s1)cccc2
• Title of publication: Carbon-Sulfur Bond Cleavage and Hydrodesulfurization of Thiophenes by Tungsten
• Authors of publication: Aaron Sattler; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3748 - 3751
• a: 8.997 ± 0.0013 Å
• b: 10.0679 ± 0.0015 Å
• c: 15.782 ± 0.002 Å
• α: 80.769 ± 0.002°
• β: 73.792 ± 0.002°
• γ: 84.386 ± 0.002°
• Cell volume: 1352.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No