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Information card for entry 4002960
Preview
Coordinates | 4002960.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H38 Cl2 N4 |
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Calculated formula | C49 H38 Cl2 N4 |
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 | 12.8917 ± 0.0006 Å |
b | 15.4364 ± 0.0007 Å |
c | 18.9628 ± 0.0008 Å |
α | 90° |
β | 90.9808 ± 0.0018° |
γ | 90° |
Cell volume | 3773.1 ± 0.3 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 | 0.0655 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4002960.html
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