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Information card for entry 1554031
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Coordinates | 1554031.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | PerNO |
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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 |
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The link is: https://www.crystallography.net/1554031.html
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