Information card for entry 7108205

Structure parameters

• Formula: C43 H42 F6 N O1.5 P S
• Calculated formula: C43 H34 F6 N O1.5 P S
• Title of publication: Benzothiazolium-functionalized tetraphenylethene: an AIE luminogen with tunable solid-state emission
• Authors of publication: Na Zhao; Zhiyong Yang; Jacky W. Y. Lam; Herman H. Y. Sung; Ni Xie; Sijie Chen; Huimin Su; Meng Gao; Ian D. Williams; Kam Sing Wong; Ben Zhong Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8637
• a: 9.7467 ± 0.0004 Å
• b: 17.3887 ± 0.0008 Å
• c: 23.849 ± 0.001 Å
• α: 72.962 ± 0.004°
• β: 85.952 ± 0.003°
• γ: 83.053 ± 0.004°
• Cell volume: 3833.6 ± 0.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No