Information card for entry 4131755

Structure parameters

• Common name: TriPO-PN
• Formula: C21 H16 F6 N O P
• Calculated formula: C21 H16 F6 N O P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[n+]1(c(oc(c1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Ionization and Anion-π⁺ Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.
• Authors of publication: Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 46
• Pages of publication: 16974 - 16979
• a: 8.5432 ± 0.001 Å
• b: 17.447 ± 0.002 Å
• c: 13.1073 ± 0.0015 Å
• α: 90°
• β: 96.302 ± 0.003°
• γ: 90°
• Cell volume: 1941.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No