Information card for entry 2226918

Structure parameters

• Chemical name: Tris[4-(methylsulfanyl)phenyl]arsine
• Formula: C21 H21 As S3
• Calculated formula: C21 H21 As S3
• SMILES: [As](c1ccc(SC)cc1)(c1ccc(SC)cc1)c1ccc(SC)cc1
• Title of publication: Tris[4-(methylsulfanyl)phenyl]arsine
• Authors of publication: bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2116
• a: 11.0839 ± 0.0002 Å
• b: 11.4556 ± 0.0002 Å
• c: 17.3247 ± 0.0002 Å
• α: 90°
• β: 110.86 ± 0.001°
• γ: 90°
• Cell volume: 2055.58 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.0664
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes