Information card for entry 2216862

Structure parameters

• Chemical name: 1,2-Bis(phenylphosphoryl)ethane
• Formula: C14 H16 O2 P2
• Calculated formula: C14 H16 O2 P2
• SMILES: P(=O)(CCP(=O)c1ccccc1)c1ccccc1
• Title of publication: 1,2-Bis(phenylphosphoryl)ethane
• Authors of publication: Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o325 - o325
• a: 10.27 ± 0.001 Å
• b: 5.1994 ± 0.0005 Å
• c: 26.241 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1401.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes