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Information card for entry 4514583
Preview
| Coordinates | 4514583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H27 N O2 S |
|---|---|
| Calculated formula | C32 H27 N O2 S |
| SMILES | S(=O)(=O)(c1ccccc1)c1ccc(c2ccc(N(c3ccccc3)c3ccccc3)cc2C)c(c1)C |
| Title of publication | Exciplex Organic Light-Emitting Diodes with Nearly 20% External Quantum Efficiency: Effect of Intermolecular Steric Hindrance between the Donor and Acceptor Pair. |
| Authors of publication | Wu, Tien-Lin; Liao, Ssu-Yu; Huang, Pei-Yun; Hong, Zih-Siang; Huang, Man-Ping; Lin, Chih-Chun; Cheng, Mu-Jeng; Cheng, Chien-Hong |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 21 |
| Pages of publication | 19294 - 19300 |
| a | 9.8403 ± 0.0004 Å |
| b | 21.3017 ± 0.0009 Å |
| c | 24.2115 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5075.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514583.cif |
| 219767 | 2019-10-28 | cif/ Adding structures of 4514583 via cif-deposit CGI script. |
4514583.cif |
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Users of the data should acknowledge the original authors of the
structural data.