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Information card for entry 4002964
Preview
Coordinates | 4002964.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H30 F18 N4 |
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Calculated formula | C48 H30 F18 N4 |
SMILES | FC(F)(F)c1ncc(c(c1)C(F)(F)F)c1cc2C(C)(C)c3cc(c4cnc(cc4C(F)(F)F)C(F)(F)F)cc4C(C)(C)c5cc(c6cnc(cc6C(F)(F)F)C(F)(F)F)cc6C(C)(C)c(c1)c2N(c34)c56 |
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 | 8.8469 ± 0.0004 Å |
b | 14.7416 ± 0.0007 Å |
c | 17.2028 ± 0.0008 Å |
α | 78.926 ± 0.0016° |
β | 75.5208 ± 0.0016° |
γ | 78.6689 ± 0.0016° |
Cell volume | 2105.66 ± 0.17 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0515 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0858 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4002964.html
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Users of the data should acknowledge the original authors of the
structural data.