Information card for entry 7051775

Structure parameters

• Common name: Tris(2,6-diisopropylphenyl)phosphine
• Chemical name: Tris(2,6-diisopropylphenyl)phosphane
• Formula: C36 H51 P
• Calculated formula: C36 H51 P
• SMILES: P(c1c(cccc1C(C)C)C(C)C)(c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Photophysical, dynamic and redox behavior of tris(2,6-diisopropylphenyl)phosphine
• Authors of publication: Boeré, René T.; Bond, Alan M.; Cronin, Steve; Duffy, Noel W.; Hazendonk, Paul; Masuda, Jason D.; Pollard, Kyle; Roemmele, Tracey L.; Tran, Peter; Zhang, Yuankui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 214
• a: 16.5047 ± 0.0007 Å
• b: 16.5047 ± 0.0007 Å
• c: 10.2363 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2414.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No