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Information card for entry 4515328
Preview
Coordinates | 4515328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H28 N6 O2 |
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Calculated formula | C46 H28 N6 O2 |
SMILES | o1c(nnc1c1ccccc1)c1cc(n2c3ccccc3c3ccccc23)c(n2c3ccccc3c3ccccc23)cc1c1oc(nn1)c1ccccc1 |
Title of publication | Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes. |
Authors of publication | Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2018 |
Journal volume | 10 |
Journal issue | 39 |
Pages of publication | 33360 - 33372 |
a | 9.9371 ± 0.0009 Å |
b | 10.2665 ± 0.0016 Å |
c | 16.5131 ± 0.0017 Å |
α | 85.4896 ± 0.001° |
β | 89.831 ± 0.005° |
γ | 87.493 ± 0.007° |
Cell volume | 1677.8 ± 0.3 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 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 | 0.0344 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 1.54187 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/4515328.html
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Users of the data should acknowledge the original authors of the
structural data.