Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226760
Preview
| Coordinates | 7226760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-bis(3-(4-butylphenyl)quinoxalin-2-yl)benzene |
|---|---|
| Formula | C42 H38 N4 |
| Calculated formula | C42 H38 N4 |
| SMILES | c1(nc2ccccc2nc1c1ccc(c2c(nc3ccccc3n2)c2ccc(cc2)CCCC)cc1)c1ccc(cc1)CCCC |
| Title of publication | Design and Synthesis of Extended Quinoxaline Derivativesis and Their Charge Transport Properties |
| Authors of publication | Yang, Jun Wei; Zhu, Haoyun; Huang, Yu Li; Huang, Wei; Wang, Weizhi |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 5.981 ± 0.004 Å |
| b | 14.384 ± 0.004 Å |
| c | 19.951 ± 0.003 Å |
| α | 90° |
| β | 92.31 ± 0.03° |
| γ | 90° |
| Cell volume | 1715 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1107 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187227 (current) | 2016-10-08 | cif/ Adding structures of 7226760 via cif-deposit CGI script. |
7226760.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.