Information card for entry 7226726

Structure parameters

• Chemical name: (Z)-Diphenyl(styryl)phosphine sulfide
• Formula: C20 H17 P S
• Calculated formula: C20 H17 P S
• SMILES: P(=S)(/C=C\c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Catalyst- and solvent-free hydrophosphination and multicomponent hydrothiophosphination of alkenes and alkynes
• Authors of publication: Moglie, Yanina; González-Soria, María José; Martín-García, Iris; Radivoy, Gabriel; Alonso, Francisco
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4896
• a: 14.697 ± 0.003 Å
• b: 6.6112 ± 0.0011 Å
• c: 17.826 ± 0.003 Å
• α: 90°
• β: 96.96 ± 0.004°
• γ: 90°
• Cell volume: 1719.3 ± 0.5 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No