Information card for entry 7108206

Structure parameters

• Formula: C41 H38 F6 N O2 P S
• Calculated formula: C41 H38 F6 N O2 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: 9.6552 ± 0.0004 Å
• b: 17.4019 ± 0.0011 Å
• c: 23.8103 ± 0.0011 Å
• α: 72.469 ± 0.005°
• β: 84.653 ± 0.004°
• γ: 82.064 ± 0.004°
• Cell volume: 3772.6 ± 0.4 ų
• Cell temperature: 172.9 ± 0.3 K
• Ambient diffraction temperature: 172.9 ± 0.3 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: 0.0824
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No