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Information card for entry 7236938
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| Coordinates | 7236938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-(4-(4-(diphenylamino)phenyl)-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl)benzonitrile |
|---|---|
| Formula | C30 H19 N5 S |
| Calculated formula | C30 H19 N5 S |
| Title of publication | Pyridal[2,1,3]thiadiazole as strong electron-withdrawing and less sterically-hindered acceptor for highly efficient donor‒acceptor type NIR materials |
| Authors of publication | Jiang, Jianxia; Li, Xianglong; Hanif, Muddasir; Zhou, Jiadong; Hu, Dehua; Su, Shijian; Xie, Zengqi; Gao, Yu; Yang, Bing; Ma, Yuguang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 42 |
| Pages of publication | 11053 |
| a | 46.21 ± 0.02 Å |
| b | 6.9886 ± 0.001 Å |
| c | 24.593 ± 0.013 Å |
| α | 90° |
| β | 144.02 ± 0.11° |
| γ | 90° |
| Cell volume | 4666 ± 13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1467 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1527 |
| Weighted residual factors for all reflections included in the refinement | 0.2366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236654 (current) | 2019-11-24 | cif/ Adding structures of 7236938 via cif-deposit CGI script. |
7236938.cif |
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