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Information card for entry 1550810
Preview
| Coordinates | 1550810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MCNPhCz |
|---|---|
| Chemical name | 3-(9H-carbazol-9-yl)benzonitrile |
| Formula | C19 H12 N2 |
| Calculated formula | C19 H12 N2 |
| SMILES | n1(c2c(cccc2)c2ccccc12)c1cc(C#N)ccc1 |
| Title of publication | Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering |
| Authors of publication | Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei |
| Journal of publication | Materials Horizons |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 6 |
| Pages of publication | 1259 |
| a | 41.374 ± 0.007 Å |
| b | 3.9588 ± 0.0007 Å |
| c | 17.309 ± 0.003 Å |
| α | 90° |
| β | 111.876 ± 0.004° |
| γ | 90° |
| Cell volume | 2630.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 3 |
| 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225363 (current) | 2019-11-08 | cif/ Updating files of 1550807, 1550808, 1550809, 1550810, 1550811 Original log message: Adding full bibliography for 1550807--1550811.cif. |
1550810.cif |
| 214403 | 2019-03-28 | cif/ Adding structures of 1550807, 1550808, 1550809, 1550810, 1550811 via cif-deposit CGI script. |
1550810.cif |
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Users of the data should acknowledge the original authors of the
structural data.