Information card for entry 4127095

Structure parameters

• Formula: C26 H19 I N2 O
• Calculated formula: C26 H19 I N2 O
• SMILES: O(c1cc2ccc3cc(C#N)c4c(c3c2cc1)cc(cc4)c1cc[n+](cc1)C)C.[I-]
• Title of publication: Multiple yet Controllable Photoswitching in a Single AIEgen System.
• Authors of publication: Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 7.522 ± 0.0003 Å
• b: 28.664 ± 0.0007 Å
• c: 9.5331 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2055.44 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No