Information card for entry 2206638

Structure parameters

• Common name: Tris(o-methylthiophenyl)phosphine
• Chemical name: Tris[2-(methylsulfanyl)phenyl]phosphine
• Formula: C21 H21 P S3
• Calculated formula: C21 H21 P S3
• SMILES: CSc1ccccc1P(c1ccccc1SC)c1ccccc1SC
• Title of publication: Tris[2-(methylsulfanyl)phenyl]phosphine
• Authors of publication: Uttecht, Jan-Georg; Tuczek, Felix; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2916 - o2917
• a: 23.4523 ± 0.0015 Å
• b: 23.4523 ± 0.0015 Å
• c: 25.4022 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12099.7 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No