Information card for entry 2236420

Structure parameters

• Chemical name: Diphenyl(pyridin-2-yl)phosphane selenide
• Formula: C17 H14 N P Se
• Calculated formula: C17 H14 N P Se
• SMILES: [Se]=P(c1ccccc1)(c1ccccc1)c1ncccc1
• Title of publication: Diphenyl(pyridin-2-yl)phosphane selenide
• Authors of publication: Davis, Wade L.; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3073
• a: 8.8092 ± 0.0004 Å
• b: 9.4066 ± 0.0004 Å
• c: 18.2661 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1513.61 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes