Information card for entry 2216236

Structure parameters

• Chemical name: Diphenylphosphane selenide
• Formula: C12 H11 P Se
• Calculated formula: C12 H11 P Se
• SMILES: P(=[Se])(c1ccccc1)c1ccccc1
• Title of publication: Diphenylphosphane selenide
• Authors of publication: Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4917 - o4917
• a: 6.0901 ± 0.0003 Å
• b: 32.3775 ± 0.0018 Å
• c: 11.5057 ± 0.0006 Å
• α: 90°
• β: 96.741 ± 0.004°
• γ: 90°
• Cell volume: 2253 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes