Information card for entry 1545021

Structure parameters

• Chemical name: Tris(2-methoxyphenyl)phosphine selenide
• Formula: C21 H21 O3 P Se
• Calculated formula: C21 H21 O3 P Se
• SMILES: [Se]=P(c1c(OC)cccc1)(c1c(OC)cccc1)c1c(OC)cccc1
• Title of publication: Tris(2-methoxyphenyl)phosphine selenide
• Authors of publication: Raymundo, Melina; Padgett, Clifford W.; Lynch, Will E.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x170009
• a: 8.351 ± 0.004 Å
• b: 27.156 ± 0.014 Å
• c: 8.545 ± 0.004 Å
• α: 90°
• β: 99.414 ± 0.007°
• γ: 90°
• Cell volume: 1911.7 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes