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Information card for entry 1550778
Preview
| Coordinates | 1550778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (E)-4-(4-(4-fluorophenyl)-2-(phenyldiazenyl)thiazol-5-yl)pyridin-2-amine |
|---|---|
| Formula | C20 H14 F N5 S |
| Calculated formula | C20 H14 F N5 S |
| SMILES | Fc1ccc(c2nc(/N=N/c3ccccc3)sc2c2cc(ncc2)N)cc1 |
| Title of publication | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. |
| Authors of publication | Schehr, Miriam; Ianes, Chiara; Weisner, Jörn; Heintze, Linda; Müller, Matthias P; Pichlo, Christian; Charl, Julia; Brunstein, Elena; Ewert, Julia; Lehr, Marc; Baumann, Ulrich; Rauh, Daniel; Knippschild, Uwe; Peifer, Christian; Herges, Rainer |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2019 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1398 - 1407 |
| a | 10.0319 ± 0.0006 Å |
| b | 8.6937 ± 0.0006 Å |
| c | 20.5271 ± 0.001 Å |
| α | 90° |
| β | 95.512 ± 0.004° |
| γ | 90° |
| Cell volume | 1781.98 ± 0.18 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0615 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225323 (current) | 2019-11-08 | cif/ Updating files of 1550778 Original log message: Adding full bibliography for 1550778.cif. |
1550778.cif |
| 214335 | 2019-03-26 | cif/ Adding structures of 1550778 via cif-deposit CGI script. |
1550778.cif |
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structural data.