Information card for entry 7043601

Structure parameters

• Chemical name: YK_PMe_I
• Formula: C21 H18 I P
• Calculated formula: C21 H18 I P
• SMILES: [I-].[P+]1(C(=Cc2ccccc12)c1ccccc1)(C)c1ccccc1
• 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: 9.19717 ± 0.00017 Å
• b: 19.179 ± 0.0004 Å
• c: 10.65593 ± 0.00019 Å
• α: 90°
• β: 102.343 ± 0.007°
• γ: 90°
• Cell volume: 1836.18 ± 0.08 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 4
• 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: 0.0228
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No