Information card for entry 4518255

Structure parameters

• Formula: C27 H19 Cl3 N4 O2 S
• Calculated formula: C27 H19 Cl3 N4 O2 S
• Title of publication: Color-Tunable and ESIPT-Inspired Solid Fluorophores Based on Benzothiazole Derivatives: Aggregation-Induced Emission, Strong Solvatochromic Effect, and White Light Emission
• Authors of publication: Chen, Yahui; Fang, Yu; Gu, Hao; Qiang, Jian; Li, Haidong; Fan, Jiangli; Cao, Jianfang; Wang, Fang; Lu, Sheng; Chen, Xiaoqiang
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2020
• a: 13.152 ± 0.004 Å
• b: 6.687 ± 0.002 Å
• c: 15.824 ± 0.005 Å
• α: 90°
• β: 95.99 ± 0.008°
• γ: 90°
• Cell volume: 1384.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2316
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No