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Information card for entry 1542428
Preview
Coordinates | 1542428.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,6-2CzBN |
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Formula | C31 H19 N3 |
Calculated formula | C31 H19 N3 |
SMILES | N#Cc1c(n2c3ccccc3c3ccccc23)cccc1n1c2ccccc2c2ccccc12 |
Title of publication | Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings |
Authors of publication | Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 5 |
Pages of publication | 3355 |
a | 8.4562 ± 0.0016 Å |
b | 7.9666 ± 0.0014 Å |
c | 34.004 ± 0.006 Å |
α | 90° |
β | 94.974 ± 0.004° |
γ | 90° |
Cell volume | 2282.1 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1834 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/1542428.html
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