Information card for entry 4077469

Structure parameters

• Formula: C27 H33 O3 P
• Calculated formula: C27 H33 O3 P
• SMILES: P(c1cc(c(c(c1)C)OC)C)(c1cc(c(c(c1)C)OC)C)c1cc(c(c(c1)C)OC)C
• Title of publication: Synthesis and Properties of Phenyl Phosphines with Meta-Positioned Methyl Groups and the X-ray Structure of Tris(3,5-dimethyl-4-methoxyphenyl)phosphine
• Authors of publication: Romain, Jeff K.; Ribblett, Jason W.; Byrn, Robert W.; Snyder, Richard D.; Storhoff, Bruce N.; Huffman, John C.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2047
• a: 12.32 ± 0.003 Å
• b: 37.838 ± 0.01 Å
• c: 10.216 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4762 ± 2 ų
• Cell temperature: 97 K
• Ambient diffraction temperature: 97 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4652
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No