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Information card for entry 1554233
Preview
| Coordinates | 1554233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H3 N O2 |
|---|---|
| Calculated formula | C3 H3 N O2 |
| Title of publication | Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond |
| Authors of publication | Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 2 |
| Journal issue | 11 |
| Pages of publication | 2124 |
| a | 7.297 ± 0.004 Å |
| b | 6.045 ± 0.003 Å |
| c | 8.354 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 368.5 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237044 (current) | 2019-11-24 | cif/ Adding structures of 1554233, 1554234, 1554235 via cif-deposit CGI script. |
1554233.cif |
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Users of the data should acknowledge the original authors of the
structural data.