Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7235189
Preview
| Coordinates | 7235189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H10 N4 S |
|---|---|
| Calculated formula | C22 H8 N4 S |
| Title of publication | Vapor-phase pi-pi molecular recognition: a fast and solvent-free strategy towards the formation of co-crystalline hollow microtube with 1D optical waveguide and up-conversion emission |
| Authors of publication | Xiaoyu Fang; Xiaogang Yang; Dongpeng Yan |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 1632 - 1637 |
| a | 9.435 ± 0.006 Å |
| b | 12.771 ± 0.008 Å |
| c | 7.237 ± 0.005 Å |
| α | 90° |
| β | 93.021 ± 0.009° |
| γ | 90° |
| Cell volume | 870.8 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1679 |
| Weighted residual factors for all reflections included in the refinement | 0.1756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MOKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231038 (current) | 2019-11-19 | cif/ Adding structures of 7235189 via cif-deposit CGI script. |
7235189.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.