Information card for entry 4105779

Structure parameters

• Formula: C20 H42 P4 S W
• Calculated formula: C20 H42 P4 S W
• SMILES: [W]123(Sc4c([CH]2=[CH2]1)cccc4)([P](C)(C)C)([P](C)(C)C)([P](C3)(C)C)[P](C)(C)C
• 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: 14.6865 ± 0.0016 Å
• b: 19.5 ± 0.002 Å
• c: 18.62 ± 0.002 Å
• α: 90°
• β: 105.02 ± 0.002°
• γ: 90°
• Cell volume: 5150.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No