Information card for entry 2242518

Structure parameters

• Common name: Tris(3,5-dimethylphenyl)phosphine oxide
• Chemical name: Tris(3,5-dimethylphenyl)(oxo)-λ^5^-phosphane
• Formula: C24 H27 O P
• Calculated formula: C24 H27 O P
• SMILES: P(=O)(c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides
• Authors of publication: Hill, Nathan D. D.; Boeré, René T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 889 - 894
• a: 14.65624 ± 0.00011 Å
• b: 8.9796 ± 0.00005 Å
• c: 17.2794 ± 0.00013 Å
• α: 90°
• β: 114.205 ± 0.0009°
• γ: 90°
• Cell volume: 2074.16 ± 0.03 ų
• Cell temperature: 108.4 ± 0.3 K
• Ambient diffraction temperature: 108.4 ± 0.3 K
• Number of distinct elements: 4
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes