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Information card for entry 2022711
Preview
| Coordinates | 2022711.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C44 H26 F6 |
|---|---|
| Calculated formula | C44 H26 F6 |
| Title of publication | Two new cases of polymorphism in diagonally substituted rubrene derivatives. |
| Authors of publication | Clapham, Margaret L.; Douglas, Christopher J. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 406 - 409 |
| a | 15.9782 ± 0.0006 Å |
| b | 7.2762 ± 0.0002 Å |
| c | 13.9814 ± 0.0006 Å |
| α | 90° |
| β | 102.701 ± 0.002° |
| γ | 90° |
| Cell volume | 1585.71 ± 0.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.