Information card for entry 4131756

Structure parameters

• Common name: TriPO-C
• Formula: C21 H15 N O
• Calculated formula: C21 H15 N O
• SMILES: n1c(oc(c1c1ccccc1)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: 7.6381 ± 0.0008 Å
• b: 19.931 ± 0.002 Å
• c: 20.56 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3130 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No