Information card for entry 2240622

Structure parameters

• Common name: <i>tert</i>-butyldiphenylphosphine oxide
• Chemical name: <i>tert</i>-Butyldiphenylphosphine oxide
• Formula: C16 H19 O P
• Calculated formula: C16 H19 O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C(C)(C)C
• Title of publication: Crystal structure of <i>tert</i>-butyldiphenylphosphine oxide
• Authors of publication: Agbeworvi, George; Assefa, Zerihun; Sykora, Richard E.; Taylor, Jared D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o400
• a: 6.3432 ± 0.0006 Å
• b: 9.5219 ± 0.0009 Å
• c: 12.4556 ± 0.0015 Å
• α: 90°
• β: 101.665 ± 0.01°
• γ: 90°
• Cell volume: 736.77 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes