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Information card for entry 1564200
Preview
| Coordinates | 1564200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H11 F N2 |
|---|---|
| Calculated formula | C19 H11 F N2 |
| Title of publication | Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding |
| Authors of publication | Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2021 |
| a | 7.191 ± 0.0004 Å |
| b | 13.105 ± 0.0008 Å |
| c | 14.5221 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1368.5 ± 0.2 Å3 |
| Cell temperature | 112.55 ± 0.1 K |
| Ambient diffraction temperature | 112.55 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267608 (current) | 2021-07-17 | cif/ Adding structures of 1564200 via cif-deposit CGI script. |
1564200.cif |
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Users of the data should acknowledge the original authors of the
structural data.