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Information card for entry 7233216
Preview
| Coordinates | 7233216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 N5 O4 |
|---|---|
| Calculated formula | C22 H19 N5 O4 |
| SMILES | O=c1[nH]c2n(cccc2)c1c1nc2n(c1/C=C/C(=O)c1ccncc1)cccc2.O.O |
| Title of publication | Stacking-induced broadband near-infrared absorption beyond 2500 nm and deep-red phosphorescence from purely organic radicals |
| Authors of publication | Guo-Ping Yong; Yu-Mei Zhao; Ya Feng; Xue-Rui Zhang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 3395 - 3398 |
| a | 32.6356 ± 0.0016 Å |
| b | 8.5232 ± 0.0003 Å |
| c | 15.46 ± 0.0009 Å |
| α | 90° |
| β | 116.224 ± 0.005° |
| γ | 90° |
| Cell volume | 3857.7 ± 0.4 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217168 (current) | 2019-07-19 | cif/ Adding structures of 7233216 via cif-deposit CGI script. |
7233216.cif |
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Users of the data should acknowledge the original authors of the
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