Information card for entry 4127099

Structure parameters

• Formula: C27 H25 I N2 O2
• Calculated formula: C27 H25 I N2 O2
• SMILES: [I-].O(c1cc2ccc(/C=C(C#N)/c3ccc(cc3)c3cc[n+](cc3)C)cc2cc1)C.OC
• 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: 7.8457 ± 0.0007 Å
• b: 9.6282 ± 0.0008 Å
• c: 16.7749 ± 0.0013 Å
• α: 96.028 ± 0.007°
• β: 102.045 ± 0.007°
• γ: 104.758 ± 0.007°
• Cell volume: 1181.51 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No