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Information card for entry 1564199
Preview
| Coordinates | 1564199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H11 Cl N2 |
|---|---|
| Calculated formula | C19 H11 Cl N2 |
| SMILES | Clc1cc(n2c3ccccc3c3ccccc23)ccc1C#N |
| 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 | 7.9074 ± 0.0003 Å |
| b | 8.8869 ± 0.0003 Å |
| c | 20.9156 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1469.79 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267606 (current) | 2021-07-17 | cif/ Adding structures of 1564199 via cif-deposit CGI script. |
1564199.cif |
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