Information card for entry 2023172

Structure parameters

• Common name: Dimethyl(phenyl)phosphine sulfide
• Chemical name: Dimethyl(phenyl)phosphanethione
• Formula: C8 H11 P S
• Calculated formula: C8 H11 P S
• Title of publication: Crystal structure and Hirshfeld surface analysis of dimethyl(phenyl)phosphine sulfide
• Authors of publication: Risken, Robin; Kuzu, Yasin Mehmet; Schmidt, Annika; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 7
• a: 6.2805 ± 0.0002 Å
• b: 7.6549 ± 0.0002 Å
• c: 19.3578 ± 0.0008 Å
• α: 90°
• β: 99.372 ± 0.002°
• γ: 90°
• Cell volume: 918.23 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.027
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No