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Information card for entry 1558089
Preview
| Coordinates | 1558089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H10 N4 O4 |
|---|---|
| Calculated formula | C8 H10 N4 O4 |
| SMILES | O=C1N(CC(=O)N1)C(N1CC(=O)NC1=O)C |
| Title of publication | Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows |
| Authors of publication | Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang |
| Journal of publication | Materials Horizons |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 2105 - 2112 |
| a | 5.8982 ± 0.0005 Å |
| b | 12.4995 ± 0.0011 Å |
| c | 14.3372 ± 0.001 Å |
| α | 90° |
| β | 114.292 ± 0.003° |
| γ | 90° |
| Cell volume | 963.42 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.102 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.2448 |
| Weighted residual factors for all reflections included in the refinement | 0.2781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.107 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558089.cif |
| 258153 | 2020-10-06 | cif/ Updating files of 1558087, 1558088, 1558089, 1558090 Original log message: Adding full bibliography for 1558087--1558090.cif. |
1558089.cif |
| 255110 | 2020-08-06 | cif/ Updating files of 1558087, 1558088, 1558089, 1558090 Original log message: Adding full bibliography for 1558087--1558090.cif. |
1558089.cif |
| 252205 | 2020-05-20 | cif/ Adding structures of 1558087, 1558088, 1558089, 1558090 via cif-deposit CGI script. |
1558089.cif |
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Users of the data should acknowledge the original authors of the
structural data.