Information card for entry 1559387

Structure parameters

• Formula: C33 H22 B Cl6 F4 N
• Calculated formula: C33 H22 B Cl6 F4 N
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.[B](F)(F)(F)[F-].[n+]12c3c4c(c(c1c1c(c2ccc3c2ccccc2)cccc1)c1ccccc1)cccc4
• Title of publication: Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.
• Authors of publication: Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 709 - 717
• a: 11.07767 ± 0.0002 Å
• b: 21.641 ± 0.0004 Å
• c: 13.7711 ± 0.0003 Å
• α: 90°
• β: 101.839 ± 0.0018°
• γ: 90°
• Cell volume: 3231.15 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No