Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4514526
Preview
| Coordinates | 4514526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H38 N4 O2 |
|---|---|
| Calculated formula | C36 H38 N4 O2 |
| Title of publication | Synthesis and Characterization of Novel Triarylamine Derivatives with Dimethylamino Substituents for Application in Optoelectronic Devices. |
| Authors of publication | Wu, Jung-Tsu; Lin, Hsiang-Ting; Liou, Guey-Sheng |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2019 |
| Journal volume | 11 |
| Journal issue | 16 |
| Pages of publication | 14902 - 14908 |
| a | 12.009 ± 0.0006 Å |
| b | 14.2052 ± 0.0008 Å |
| c | 15.3595 ± 0.001 Å |
| α | 110.578 ± 0.006° |
| β | 101.652 ± 0.005° |
| γ | 101.944 ± 0.005° |
| Cell volume | 2289.4 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.1453 |
| Residual factor for significantly intense reflections | 0.086 |
| Weighted residual factors for significantly intense reflections | 0.2221 |
| Weighted residual factors for all reflections included in the refinement | 0.2536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.276 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4514526.cif |
| 219711 | 2019-10-28 | cif/ Adding structures of 4514526 via cif-deposit CGI script. |
4514526.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.