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Information card for entry 4517161
Preview
Coordinates | 4517161.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H25 N O S |
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Calculated formula | C38 H25 N O S |
SMILES | S1c2c(C3(c4ccccc4N(c4ccc(C(=O)c5ccccc5)cc4)c4ccccc34)c3ccccc13)cccc2 |
Title of publication | Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels. |
Authors of publication | Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2019 |
a | 8.1668 ± 0.0001 Å |
b | 31.2974 ± 0.0002 Å |
c | 10.781 ± 0.0001 Å |
α | 90° |
β | 104.038 ± 0.001° |
γ | 90° |
Cell volume | 2673.32 ± 0.05 Å3 |
Cell temperature | 103 ± 3 K |
Ambient diffraction temperature | 103 ± 3 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
250444 (current) | 2020-04-07 | cif/4 Fixing Z values and formulae |
4517161.cif |
244860 | 2019-12-03 | cif/ Adding structures of 4517161 via cif-deposit CGI script. |
4517161.cif |
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Users of the data should acknowledge the original authors of the
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