Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236624
Preview
| Coordinates | 7236624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H12 O4 |
|---|---|
| Calculated formula | C30 H12 O4 |
| Title of publication | Biscoumarin-containing acenes as stable organic semiconductors for photocatalytic oxygen reduction to hydrogen peroxide |
| Authors of publication | Węcławski, Marek K.; Jakešová, Marie; Charyton, Martyna; Demitri, Nicola; Koszarna, Beata; Oppelt, Kerstin; Sariciftci, Serdar; Gryko, Daniel T.; Głowacki, Eric Daniel |
| Journal of publication | J. Mater. Chem. A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 39 |
| Pages of publication | 20780 |
| a | 8.91 ± 0.002 Å |
| b | 9.404 ± 0.002 Å |
| c | 11.968 ± 0.002 Å |
| α | 77.86 ± 0.03° |
| β | 74.36 ± 0.03° |
| γ | 67.64 ± 0.03° |
| Cell volume | 886.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0937 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1734 |
| Weighted residual factors for all reflections included in the refinement | 0.2007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | Synchrotron |
| 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. |
7236624.cif |
| 236365 | 2019-11-24 | cif/ Adding structures of 7236621, 7236622, 7236623, 7236624, 7236625, 7236626 via cif-deposit CGI script. |
7236624.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.