Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575694
Preview
| Coordinates | 1575694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 |
|---|---|
| Calculated formula | C24 H24 |
| Title of publication | Making non-emissive [6]cycloparaphenylene fluorescent by simple multiple methyl substitution |
| Authors of publication | Kato, Tomoki; Imoto, Daiki; Yagi, Akiko; Itami, Kenichiro |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 23.9328 ± 0.001 Å |
| b | 7.6621 ± 0.0003 Å |
| c | 19.9111 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3651.2 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302110 (current) | 2025-09-12 | cif/ Adding structures of 1575694 via cif-deposit CGI script. |
1575694.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.