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Information card for entry 2022428
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| Coordinates | 2022428.cif |
|---|---|
| Structure factors | 2022428.hkl |
| Original IUCr paper | HTML |
| Common name | Fluoranthene‒octafluoronaphthalene (1/1) |
|---|---|
| Chemical name | Fluoranthene‒1,2,3,4,5,6,7,8-octafluoronaphthalene (1/1) |
| Formula | C26 H10 F8 |
| Calculated formula | C26 H10 F8 |
| SMILES | Fc1c2c(c(F)c(F)c1F)c(F)c(F)c(F)c2F.c1c2c(c3c4c2cccc4ccc3)ccc1 |
| 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 | 6.773 ± 0.001 Å |
| b | 14.323 ± 0.002 Å |
| c | 10.02 ± 0.0014 Å |
| α | 90° |
| β | 99.732 ± 0.004° |
| γ | 90° |
| Cell volume | 958 ± 0.2 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1449 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
2022428.cif 2022428.hkl |
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Users of the data should acknowledge the original authors of the
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