Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1562419
Preview
| Coordinates | 1562419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H29 N O2 |
|---|---|
| Calculated formula | C36 H29 N O2 |
| SMILES | O1c2cccc(c2C(=O)c2c(cc(cc12)c1ccc(N2c3ccccc3C(c3ccccc23)(C)C)cc1)C)C |
| Title of publication | A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs |
| Authors of publication | Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong |
| Journal of publication | Materials Horizons |
| Year of publication | 2021 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2025 - 2031 |
| a | 9.6146 ± 0.0005 Å |
| b | 16.2601 ± 0.0008 Å |
| c | 18.3252 ± 0.0009 Å |
| α | 110.783 ± 0.005° |
| β | 90.71 ± 0.004° |
| γ | 101.904 ± 0.004° |
| Cell volume | 2609.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.2122 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562419.cif |
| 268969 | 2021-09-06 | cif/ Updating files of 1562419, 1562420, 1562421, 1562422 Original log message: Adding full bibliography for 1562419--1562422.cif. |
1562419.cif |
| 265037 | 2021-05-07 | cif/ Adding structures of 1562419, 1562420, 1562421, 1562422 via cif-deposit CGI script. |
1562419.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.