Information card for entry 2228796

Structure parameters

• Chemical name: Bis(2-methoxyphenyl)(phenyl)phosphine selenide
• Formula: C20 H19 O2 P Se
• Calculated formula: C20 H19 O2 P Se
• SMILES: P(=[Se])(c1c(cccc1)OC)(c1c(cccc1)OC)c1ccccc1
• Title of publication: Bis(2-methoxyphenyl)(phenyl)phosphine selenide
• Authors of publication: Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o89
• a: 8.9552 ± 0.0004 Å
• b: 13.2737 ± 0.0006 Å
• c: 15.9593 ± 0.0006 Å
• α: 90°
• β: 104.885 ± 0.001°
• γ: 90°
• Cell volume: 1833.4 ± 0.14 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: 0.0784
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes