Information card for entry 2220756

Structure parameters

• Chemical name: 1,1,2,2-Tetraphenyl-1λ^5^-diphosphane 1-sulfide
• Formula: C24 H20 P2 S
• Calculated formula: C24 H20 P2 S
• SMILES: c1(ccccc1)P(c1ccccc1)P(c1ccccc1)(c1ccccc1)=S
• Title of publication: 1,1,2,2-Tetraphenyl-1λ^5^-diphosphane 1-sulfide
• Authors of publication: Aluri, Bhaskar R.; Peitz, Stephan; Wöhl, Anina; Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o404
• a: 9.3267 ± 0.00019 Å
• b: 13.6496 ± 0.0004 Å
• c: 16.0484 ± 0.0004 Å
• α: 90°
• β: 91.7298 ± 0.0017°
• γ: 90°
• Cell volume: 2042.12 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes