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Information card for entry 2022426
Preview
| Coordinates | 2022426.cif |
|---|---|
| Structure factors | 2022426.hkl |
| Original IUCr paper | HTML |
| Common name | Fluoranthene‒1,2,4,5-tetracyanobenzene (1/1) |
|---|---|
| Chemical name | Fluoranthene‒benzene-1,2,4,5-tetracarbonitrile (1/1) |
| Formula | C26 H12 N4 |
| Calculated formula | C26 H12 N4 |
| SMILES | N#Cc1cc(c(cc1C#N)C#N)C#N.c12c3c4c(c1cccc2ccc3)cccc4 |
| Title of publication | Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties |
| Authors of publication | Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 7.3192 ± 0.0014 Å |
| b | 8.2802 ± 0.0008 Å |
| c | 31.3093 ± 0.0004 Å |
| α | 90° |
| β | 90.162 ± 0.002° |
| γ | 90° |
| Cell volume | 1897.5 ± 0.4 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1332 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268199 (current) | 2021-08-25 | cif/ hkl/ Adding structures of 2022426, 2022427, 2022428 via cif-deposit CGI script. |
2022426.cif 2022426.hkl |
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Users of the data should acknowledge the original authors of the
structural data.