Information card for entry 2202185

Structure parameters

• Common name: 1,4-bis(diphenylphosphino)butane half oxide
• Chemical name: 1-(Diphenylphosphino)-4-(diphenylphosphinoyl)butane
• Formula: C28 H28 O P2
• Calculated formula: C28 H28 O P2
• Title of publication: 1-(Diphenylphosphino)-4-(diphenylphosphinoyl)butane
• Authors of publication: Michael L. Williams; Peter C. Healy; Nicholas K. Loh; Samuel P. C. Dunstan; Graham Smith
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o596 - o598
• a: 8.927 ± 0.002 Å
• b: 12.514 ± 0.003 Å
• c: 5.802 ± 0.002 Å
• α: 102.98 ± 0.02°
• β: 102.23 ± 0.03°
• γ: 100.71 ± 0.02°
• Cell volume: 598.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes