Information card for entry 4332279

Structure parameters

• Common name: phosphine oxide
• Chemical name: Diphenyl[2-(phenylazo)phenyl]phosphine oxide
• Formula: C24 H19 N2 O P
• Calculated formula: C24 H19 N2 O P
• SMILES: P(=O)(c1ccccc1N=Nc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group
• Authors of publication: Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6497 - 6507
• a: 10.079 ± 0.007 Å
• b: 9.815 ± 0.007 Å
• c: 20.357 ± 0.014 Å
• α: 90°
• β: 97.234 ± 0.003°
• γ: 90°
• Cell volume: 1998 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0803
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No