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Information card for entry 1551379
Preview
| Coordinates | 1551379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N3 S |
|---|---|
| Calculated formula | C18 H17 N3 S |
| SMILES | s1c(/C(=C2\N=C(NC(C)(C)C)c3ccccc23)C#N)ccc1 |
| Title of publication | Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging |
| Authors of publication | Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 7.306 ± 0.003 Å |
| b | 18.404 ± 0.008 Å |
| c | 23.763 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3195 ± 2 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0807 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215901 (current) | 2019-06-13 | cif/ Adding structures of 1551378, 1551379, 1551380, 1551381 via cif-deposit CGI script. |
1551379.cif |
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Users of the data should acknowledge the original authors of the
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