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Information card for entry 1565897
Preview
| Coordinates | 1565897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H8 F N |
|---|---|
| Calculated formula | C13 H8 F N |
| SMILES | N#Cc1ccc(c2ccc(F)cc2)cc1 |
| Title of publication | Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives |
| Authors of publication | Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2021 |
| Journal volume | 125 |
| Journal issue | 49 |
| Pages of publication | 27489 - 27496 |
| a | 11.7566 ± 0.0005 Å |
| b | 7.5793 ± 0.0003 Å |
| c | 22.5745 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2011.54 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0811 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271777 (current) | 2022-01-04 | cif/ Adding structures of 1565897 via cif-deposit CGI script. |
1565897.cif |
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Users of the data should acknowledge the original authors of the
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