Information card for entry 7053545

Structure parameters

• Common name: 2,3,4,5-tetraphenyl-1-(2',4',6'-triisopropylphenyl)-1H- phosphole-1-oxide
• Chemical name: 2,3,4,5-tetraphenyl-1-(2',4',6'-triisopropylphenyl)-1H-phosphole-1-oxide
• Formula: C43 H43 O P
• Calculated formula: C43 H43 O P
• SMILES: P1(=O)(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Intense fluorescence of 1-aryl-2,3,4,5-tetraphenylphosphole oxides in the crystalline state
• Authors of publication: Fukazawa, Aiko; Ichihashi, Yasunori; Yamaguchi, Shigehiro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1537
• a: 9.153 ± 0.003 Å
• b: 10.506 ± 0.004 Å
• c: 35.335 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3398 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No