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Information card for entry 1554031
Preview
| Coordinates | 1554031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | PerNO |
|---|---|
| Formula | C26 H22 N O |
| Calculated formula | C26 H22 N O |
| Title of publication | Photogenerated Quartet State Formation in a Compact Ring-Fused Perylene-Nitroxide. |
| Authors of publication | Dyar, Scott M.; Margulies, Eric A.; Horwitz, Noah E.; Brown, Kristen E.; Krzyaniak, Matthew D.; Wasielewski, Michael R. |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2015 |
| Journal volume | 119 |
| Journal issue | 43 |
| Pages of publication | 13560 - 13569 |
| a | 11.6367 ± 0.0007 Å |
| b | 27.4387 ± 0.0018 Å |
| c | 11.7856 ± 0.0007 Å |
| α | 90° |
| β | 95.372 ± 0.004° |
| γ | 90° |
| Cell volume | 3746.6 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1106 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2414 |
| Weighted residual factors for all reflections included in the refinement | 0.2596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236463 (current) | 2019-11-24 | cif/ Adding structures of 1554031 via cif-deposit CGI script. |
1554031.cif |
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