Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236810
Preview
| Coordinates | 7236810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H14 F10 S2 |
|---|---|
| Calculated formula | C38 H14 F10 S2 |
| Title of publication | Enhanced stability of a rubrene analogue with a brickwork packing motif |
| Authors of publication | Li, Jinfeng; Ni, Zhenjie; Zhang, Xiaotao; Li, Rongjin; Dong, Huanli; Hu, Wenping |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 33 |
| Pages of publication | 8376 |
| a | 13.862 ± 0.003 Å |
| b | 7.756 ± 0.0016 Å |
| c | 27.693 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2977.4 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1336 |
| Residual factor for significantly intense reflections | 0.1122 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.378 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236529 (current) | 2019-11-24 | cif/ Adding structures of 7236810 via cif-deposit CGI script. |
7236810.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.