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Information card for entry 1570296
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Coordinates | 1570296.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H13 F2 N2 |
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Calculated formula | C18 H13 F2 N2 |
Title of publication | Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state. |
Authors of publication | Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K. |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 47 |
Pages of publication | 13870 - 13878 |
a | 9.2342 ± 0.0003 Å |
b | 19.7739 ± 0.0004 Å |
c | 8.5738 ± 0.0003 Å |
α | 90° |
β | 107.396 ± 0.003° |
γ | 90° |
Cell volume | 1493.94 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0426 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1570296.html
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