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Information card for entry 1559708
Preview
| Coordinates | 1559708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H10 F6 O2 |
|---|---|
| Calculated formula | C19 H10 F6 O2 |
| Title of publication | Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols. |
| Authors of publication | Sysoiev, Dmytro; Huhn, Thomas |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2020 |
| Journal volume | 19 |
| Journal issue | 11 |
| Pages of publication | 1511 - 1516 |
| a | 7.147 ± 0.001 Å |
| b | 8.3925 ± 0.0012 Å |
| c | 14.495 ± 0.002 Å |
| α | 81.952 ± 0.012° |
| β | 87.947 ± 0.012° |
| γ | 78.899 ± 0.012° |
| Cell volume | 844.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559708.cif |
| 259566 | 2020-12-05 | cif/ Adding structures of 1559704, 1559705, 1559706, 1559707, 1559708, 1559709 via cif-deposit CGI script. |
1559708.cif |
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Users of the data should acknowledge the original authors of the
structural data.