Information card for entry 4127098

Structure parameters

• Formula: C25 H18 N2 O
• Calculated formula: C25 H18 N2 O
• SMILES: O(c1cc2ccc(/C=C(C#N)/c3ccc(c4ccncc4)cc3)cc2cc1)C
• 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: 6.67174 ± 0.00013 Å
• b: 39.4337 ± 0.001 Å
• c: 7.0432 ± 0.0002 Å
• α: 90°
• β: 99.304 ± 0.003°
• γ: 90°
• Cell volume: 1828.63 ± 0.08 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1032
• 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