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Information card for entry 1554643
Preview
| Coordinates | 1554643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H11 N O2 S |
|---|---|
| Calculated formula | C13 H11 N O2 S |
| SMILES | S1(=O)(=O)c2ccccc2N(c2c1cccc2)C |
| Title of publication | The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging |
| Authors of publication | Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen |
| Journal of publication | Materials Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | 1391 |
| a | 8.78316 ± 0.00019 Å |
| b | 11.4642 ± 0.0002 Å |
| c | 11.1048 ± 0.0002 Å |
| α | 90° |
| β | 91.3006 ± 0.0019° |
| γ | 90° |
| Cell volume | 1117.88 ± 0.04 Å3 |
| Cell temperature | 295.04 ± 0.1 K |
| Ambient diffraction temperature | 295.04 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.1665 |
| Weighted residual factors for all reflections included in the refinement | 0.1708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238019 (current) | 2019-11-24 | cif/ Adding structures of 1554641, 1554642, 1554643, 1554644, 1554645, 1554646 via cif-deposit CGI script. |
1554643.cif |
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Users of the data should acknowledge the original authors of the
structural data.