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Information card for entry 1550810
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Coordinates | 1550810.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MCNPhCz |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550810.html
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structural data.