Information card for entry 1543901

Structure parameters

• Chemical name: Tris(4-methoxyphenyl)phosphine selenide
• Formula: C21 H21 O3 P Se
• Calculated formula: C21 H21 O3 P Se
• SMILES: [Se]=P(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Tris(4-methoxyphenyl)phosphine selenide
• Authors of publication: Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161271
• a: 16.442 ± 0.011 Å
• b: 10.991 ± 0.007 Å
• c: 11.722 ± 0.008 Å
• α: 90°
• β: 108.611 ± 0.007°
• γ: 90°
• Cell volume: 2008 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes