Information card for entry 2228733

Structure parameters

• Chemical name: Tris(4-methylphenyl)phosphine selenide
• Formula: C21 H21 P Se
• Calculated formula: C21 H21 P Se
• SMILES: [Se]=P(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
• Title of publication: Tris(4-methylphenyl)phosphine selenide
• Authors of publication: Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o45
• a: 9.833 ± 0.0004 Å
• b: 19.0584 ± 0.0009 Å
• c: 11.9136 ± 0.0004 Å
• α: 90°
• β: 124.969 ± 0.002°
• γ: 90°
• Cell volume: 1829.55 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes