Information card for entry 7043598

Structure parameters

• Formula: C21 H18 F6 P2
• Calculated formula: C21 H18 F6 P2
• SMILES: [P+]1(C(=Cc2ccccc12)c1ccccc1)(C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Effects of counter anions, P-substituents, and solvents on optical and photophysical properties of 2-phenylbenzo[b]phospholium salts
• Authors of publication: Koyanagi, Yoshinari; Kawaguchi, Shogo; Fujii, Kaori; Kimura, Yoshifumi; Sasamori, Takahiro; Tokitoh, Norihiro; Matano, Yoshihiro
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.5651 ± 0.0002 Å
• b: 8.3208 ± 0.0001 Å
• c: 20.4281 ± 0.0003 Å
• α: 90°
• β: 94.8115 ± 0.0009°
• γ: 90°
• Cell volume: 1958.89 ± 0.05 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No