Information card for entry 2010659

Structure parameters

• Chemical name: Triphenylphosphinsulfide
• Formula: C18 H15 P S
• Calculated formula: C18 H15 P S
• SMILES: c1(ccccc1)P(c1ccccc1)(c1ccccc1)=S
• Title of publication: Triclinic polymorphs of triphenylphosphine and triphenylphosphine sulfide
• Authors of publication: Ziemer, Burkhard; Rabis, Annegrit; Hans-Uwe Steinberger
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e58 - e59
• a: 9.542 ± 0.003 Å
• b: 11.207 ± 0.003 Å
• c: 14.537 ± 0.004 Å
• α: 88.89 ± 0.04°
• β: 80.39 ± 0.04°
• γ: 78.28 ± 0.03°
• Cell volume: 1500.6 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No