Information card for entry 7112546

Structure parameters

• Formula: C19 H17 P S
• Calculated formula: C19 H17 P S
• SMILES: P(=S)(Cc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ph2PI as a reduction/phosphination reagent: providing easy access to phosphine oxides.
• Authors of publication: Wang, Feijun; Qu, Mingliang; Chen, Feng; Xu, Qin; Shi, Min
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 68
• Pages of publication: 8580 - 8582
• a: 10.469 ± 0.004 Å
• b: 9.553 ± 0.003 Å
• c: 15.723 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1572.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108180
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No