Information card for entry 2242520

Structure parameters

• Common name: Tris(4-methoxy-3,5-dimethylphenyl)phosphine oxide
• Chemical name: Tris(4-methoxy-3,5-dimethylphenyl(oxo)-λ^5^-phosphane
• Formula: C27 H33 O4 P
• Calculated formula: C27 H33 O4 P
• SMILES: P(=O)(c1cc(c(OC)c(c1)C)C)(c1cc(c(OC)c(c1)C)C)c1cc(c(OC)c(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: 11.28601 ± 0.00011 Å
• b: 11.90008 ± 0.00011 Å
• c: 36.3801 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4886.01 ± 0.08 ų
• Cell temperature: 108.3 ± 0.4 K
• Ambient diffraction temperature: 108.3 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes