Information card for entry 4517311

Structure parameters

• Formula: C25 H15 N O3 S
• Calculated formula: C25 H15 N O3 S
• SMILES: S1(=O)(=O)c2c(cc(n3c4c(c5c3cccc5)cccc4)cc2)C(=O)c2ccccc12
• Title of publication: Reversible and Continuous Color-Tunable Persistent Luminescence of Metal-Free Organic Materials by "Self"-Interface Energy Transfer.
• Authors of publication: Mu, Yingxiao; Xu, Bingjia; Yang, Zhan; Wen, Hanhui; Yang, Zhiyong; Mane, Sunil Kumar Baburao; Zhao, Juan; Zhang, Yi; Chi, Zhenguo; Tang, Ben Zhong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 8.6336 ± 0.0002 Å
• b: 28.9267 ± 0.0006 Å
• c: 8.0359 ± 0.0002 Å
• α: 90°
• β: 107.081 ± 0.003°
• γ: 90°
• Cell volume: 1918.37 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No