Information card for entry 2212109

Structure parameters

• Chemical name: Butyldiphenylphosphine oxide
• Formula: C16 H19 O P
• Calculated formula: C16 H19 O P
• SMILES: CCCCP(=O)(c1ccccc1)c1ccccc1
• Title of publication: Butyldiphenylphosphine oxide
• Authors of publication: Caddy, Judy; Coyanis, E. Mabel; Lemmerer, Andreas; Khanye, Setshaba D.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1032 - o1033
• a: 8.1289 ± 0.0012 Å
• b: 5.9814 ± 0.0009 Å
• c: 14.6 ± 0.002 Å
• α: 90°
• β: 93.326 ± 0.003°
• γ: 90°
• Cell volume: 708.69 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes