Information card for entry 7111851

Structure parameters

• Formula: C22 H23 O0.55 P
• Calculated formula: C22 H23 O0.551 P
• Title of publication: A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands
• Authors of publication: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1432
• a: 21.2169 ± 0.001 Å
• b: 7.8833 ± 0.0004 Å
• c: 20.2375 ± 0.001 Å
• α: 90°
• β: 100.874 ± 0.003°
• γ: 90°
• Cell volume: 3324.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No