Information card for entry 2239382

Structure parameters

• Chemical name: Diphenyl[(phenylsulfanyl)methyl]-λ^5^-phosphanethione
• Formula: C19 H17 P S2
• Calculated formula: C19 H17 P S2
• SMILES: c1(ccccc1)P(c1ccccc1)(CSc1ccccc1)=S
• Title of publication: Diphenyl[(phenylsulfanyl)methyl]-λ^5^-phosphanethione
• Authors of publication: Gessner, Viktoria H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o374
• a: 9.3748 ± 0.0013 Å
• b: 18.598 ± 0.003 Å
• c: 10.0941 ± 0.0014 Å
• α: 90°
• β: 101.044 ± 0.002°
• γ: 90°
• Cell volume: 1727.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes