Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237713
Preview
| Coordinates | 7237713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H19 F N4 S |
|---|---|
| Calculated formula | C33 H19 F N4 S |
| Title of publication | Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism |
| Authors of publication | Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 17 |
| Pages of publication | 4988 |
| a | 9.7866 ± 0.0003 Å |
| b | 16.2397 ± 0.0005 Å |
| c | 15.7471 ± 0.0005 Å |
| α | 90° |
| β | 102.022 ± 0.003° |
| γ | 90° |
| Cell volume | 2447.82 ± 0.13 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 5 |
| 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7237713.cif |
| 238548 | 2019-11-24 | cif/ Adding structures of 7237709, 7237710, 7237711, 7237712, 7237713, 7237714 via cif-deposit CGI script. |
7237713.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.