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Information card for entry 4518255
Preview
| Coordinates | 4518255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259204 (current) | 2020-11-21 | cif/ Adding structures of 4518255 via cif-deposit CGI script. |
4518255.cif |
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Users of the data should acknowledge the original authors of the
structural data.