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Information card for entry 8000434
Preview
| Coordinates | 8000434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 9-(4-Iodobenzyl)-9H-Carbazole |
|---|---|
| Chemical name | 9-(4-Iodobenzyl)-9H-Carbazole |
| Formula | C19 H14 I N |
| Calculated formula | C19 H14 I N |
| SMILES | Ic1ccc(cc1)Cn1c2ccccc2c2ccccc12 |
| Title of publication | Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly. |
| Authors of publication | Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 4962 - 4969 |
| a | 5.4967 ± 0.0003 Å |
| b | 13.8112 ± 0.0006 Å |
| c | 19.849 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1506.86 ± 0.13 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000434.cif |
| 253750 | 2020-07-04 | cif/ Updating files of 8000434, 8000435 Original log message: Adding full bibliography for 8000434--8000435.cif. |
8000434.cif |
| 253114 | 2020-06-12 | cif/ Adding structures of 8000434 via cif-deposit CGI script. |
8000434.cif |
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Users of the data should acknowledge the original authors of the
structural data.