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Information card for entry 4002961
Preview
Coordinates | 4002961.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C87 H54 F9 N7 |
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Calculated formula | C86.75 H53.2 F9 N6.78333 |
Title of publication | Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores |
Authors of publication | Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6684 |
a | 23.7795 ± 0.0007 Å |
b | 31.6796 ± 0.0009 Å |
c | 28.2823 ± 0.0008 Å |
α | 90° |
β | 105.925 ± 0.0014° |
γ | 90° |
Cell volume | 20488.1 ± 1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 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 | 0.2054 |
Residual factor for significantly intense reflections | 0.0875 |
Weighted residual factors for significantly intense reflections | 0.1951 |
Weighted residual factors for all reflections included in the refinement | 0.2584 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4002961.html
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