Information card for entry 4084408

Structure parameters

• Formula: C17 H15 O5 P S W
• Calculated formula: C17 H15 O5 P S W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(CC(=C(CS1)C)C)c1ccccc1
• Title of publication: Revisiting the Chemistry of Phosphinidene Sulfides
• Authors of publication: Wang, Lili; Ganguly, Rakesh; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5614
• a: 8.2214 ± 0.0003 Å
• b: 11.0575 ± 0.0004 Å
• c: 11.3306 ± 0.0004 Å
• α: 71.1062 ± 0.0014°
• β: 76.9129 ± 0.0015°
• γ: 86.0001 ± 0.0014°
• Cell volume: 949.23 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No