Information card for entry 7053547

Structure parameters

• Common name: 1-(4-trifluoromethyl)phenyl-2,3,4,5-tetraphenyl-1H-phosphole- 1-oxide
• Chemical name: 1-(4-trifluoromethyl)phenyl-2,3,4,5-tetraphenyl-1H-phosphole-1-oxide
• Formula: C35 H24 F3 O P
• Calculated formula: C35 H24 F3 O P
• SMILES: P1(=O)(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F
• 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: 6.2429 ± 0.0016 Å
• b: 21.249 ± 0.005 Å
• c: 20.413 ± 0.005 Å
• α: 90°
• β: 97.4377 ± 0.0014°
• γ: 90°
• Cell volume: 2685.1 ± 1.1 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No