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Information card for entry 1558088
Preview
| Coordinates | 1558088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C3 H4 N2 O2 |
|---|---|
| Calculated formula | C3 H4 N2 O2 |
| SMILES | O=C1NC(=O)CN1 |
| 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 | 9.3446 ± 0.0015 Å |
| b | 12.244 ± 0.002 Å |
| c | 7.3458 ± 0.0013 Å |
| α | 90° |
| β | 105.194 ± 0.007° |
| γ | 90° |
| Cell volume | 811.1 ± 0.2 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 | 0.0561 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1652 |
| Weighted residual factors for all reflections included in the refinement | 0.1665 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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. |
1558088.cif |
| 258153 | 2020-10-06 | cif/ Updating files of 1558087, 1558088, 1558089, 1558090 Original log message: Adding full bibliography for 1558087--1558090.cif. |
1558088.cif |
| 255110 | 2020-08-06 | cif/ Updating files of 1558087, 1558088, 1558089, 1558090 Original log message: Adding full bibliography for 1558087--1558090.cif. |
1558088.cif |
| 252205 | 2020-05-20 | cif/ Adding structures of 1558087, 1558088, 1558089, 1558090 via cif-deposit CGI script. |
1558088.cif |
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Users of the data should acknowledge the original authors of the
structural data.