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Information card for entry 7129352
Preview
| Coordinates | 7129352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H7 N3 O2 |
|---|---|
| Calculated formula | C3 H7 N3 O2 |
| SMILES | OC(=O)CNC(=N)N |
| Title of publication | Robust and color-tunable afterglows from guanidine derivatives |
| Authors of publication | Zhao, Zihao; Li, Yuxuan; Chen, Xiaohong; Zhang, Yongming; Yuan, Wang Zhang |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 4.9399 ± 0.0002 Å |
| b | 6.0035 ± 0.0003 Å |
| c | 17.1666 ± 0.0008 Å |
| α | 90° |
| β | 94.272 ± 0.002° |
| γ | 90° |
| Cell volume | 507.69 ± 0.04 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271251 (current) | 2021-12-08 | cif/ Adding structures of 7129351, 7129352 via cif-deposit CGI script. |
7129352.cif |
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Users of the data should acknowledge the original authors of the
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