Information card for entry 4105780

Structure parameters

• Formula: C20 H44 P4 S W
• Calculated formula: C20 H44 P4 S W
• SMILES: [WH]12(Sc3c([CH]2=[CH2]1)cccc3)([P](C)(C)C)([P](C)(C)C)([P](C)(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: 18.507 ± 0.002 Å
• b: 15.22 ± 0.002 Å
• c: 19.118 ± 0.003 Å
• α: 90°
• β: 98.724 ± 0.002°
• γ: 90°
• Cell volume: 5322.8 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No