Information card for entry 4514389

Structure parameters

• Formula: C55 H42 Cl2 N4
• Calculated formula: C55 H42 Cl2 N4
• SMILES: n1c(/C=C/c2ccc(cc2)C(=C(c2ccc(cc2)/C=C/c2ncccc2)c2ccc(cc2)/C=C/c2ncccc2)c2ccc(cc2)/C=C/c2ccccn2)cccc1.ClCCl
• Title of publication: Multi-Stimuli-Responsive Fluorescence Switching from a Pyridine-Functionalized Tetraphenylethene AIEgen.
• Authors of publication: Xiong, Jianbo; Wang, Kai; Yao, Zhaoquan; Zou, Bo; Xu, Jialiang; Bu, Xian-He
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 5819 - 5827
• a: 11.7874 ± 0.0001 Å
• b: 12.6558 ± 0.0001 Å
• c: 17.1935 ± 0.0001 Å
• α: 106.553 ± 0.001°
• β: 103.284 ± 0.001°
• γ: 103.641 ± 0.001°
• Cell volume: 2264.59 ± 0.04 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.4104
• Weighted residual factors for all reflections included in the refinement: 0.4387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No