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Information card for entry 1550415
Preview
| Coordinates | 1550415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H32 Br2 N4 O |
|---|---|
| Calculated formula | C39 H32 Br2 N4 O |
| Title of publication | UV-irradiation of self-assembled triphenylamines affords persistent and regenerable radicals |
| Authors of publication | Sindt, Ammon J.; DeHaven, Baillie A.; McEachern, David F.; Dissanayake, Madushanka M.; Smith, Mark D.; Vannucci, Aaron K.; Shimizu, Linda S. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 18.5184 ± 0.0008 Å |
| b | 19.9443 ± 0.0007 Å |
| c | 9.0043 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3325.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212912 (current) | 2019-01-11 | cif/ Adding structures of 1550415 via cif-deposit CGI script. |
1550415.cif |
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Users of the data should acknowledge the original authors of the
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