Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236826
Preview
| Coordinates | 7236826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | TBT |
|---|---|
| Formula | C30 H16 |
| Calculated formula | C30 H16 |
| Title of publication | Contorted tetrabenzoacenes of varied conjugation: charge transport study with single-crystal field-effect transistors |
| Authors of publication | Huang, Ding-Chi; Kuo, Chi-Hsien; Ho, Man-Tzu; Lin, Bo-Chao; Peng, Wei-Tao; Chao, Ito; Hsu, Chao-Ping; Tao, Yu-Tai |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 31 |
| Pages of publication | 7935 |
| a | 13.1759 ± 0.0003 Å |
| b | 7.4913 ± 0.0002 Å |
| c | 18.1519 ± 0.0005 Å |
| α | 90° |
| β | 100.99 ± 0.001° |
| γ | 90° |
| Cell volume | 1758.82 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 2 |
| 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236826.cif |
| 236550 | 2019-11-24 | cif/ Adding structures of 7236825, 7236826, 7236827, 7236828 via cif-deposit CGI script. |
7236826.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.