Information card for entry 2236750

Structure parameters

• Chemical name: [4-(Dimethylamino)phenyl]diphenylphosphine selenide
• Formula: C20 H20 N P Se
• Calculated formula: C20 H20 N P Se
• SMILES: [Se]=P(c1ccccc1)(c1ccccc1)c1ccc(N(C)C)cc1
• Title of publication: [4-(Dimethylamino)phenyl]diphenylphosphine 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: o3153 - o3154
• a: 12.1757 ± 0.0013 Å
• b: 10.6173 ± 0.0011 Å
• c: 17.5211 ± 0.0014 Å
• α: 90°
• β: 128.098 ± 0.005°
• γ: 90°
• Cell volume: 1782.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes