Information card for entry 4517312

Structure parameters

• Formula: C100 H60 N4 O12 S4
• Calculated formula: C100 H60 N4 O12 S4
• 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: 8.5934 ± 0.0002 Å
• b: 28.5006 ± 0.0006 Å
• c: 8.00518 ± 0.00017 Å
• α: 90°
• β: 106.664 ± 0.003°
• γ: 90°
• Cell volume: 1878.27 ± 0.08 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.052
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No