Information card for entry 7053546

Structure parameters

• Common name: 1-(4'-methoxyphenyl)-2,3,4,5-tetraphenyl-1H-phosphole-1-oxide
• Chemical name: 1-(4'-methoxyphenyl)-2,3,4,5-tetraphenyl-1H-phosphole-1-oxide
• Formula: C35 H27 O2 P
• Calculated formula: C35 H27 O2 P
• SMILES: P1(=O)(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)OC
• 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: 10.234 ± 0.003 Å
• b: 10.522 ± 0.002 Å
• c: 14.911 ± 0.005 Å
• α: 70.376 ± 0.011°
• β: 89.627 ± 0.014°
• γ: 63.75 ± 0.01°
• Cell volume: 1337.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No