Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233708
Preview
| Coordinates | 7233708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H25 Cl S2 |
|---|---|
| Calculated formula | C38 H25 Cl S2 |
| Title of publication | Connecting molecule oxidation to single crystal structural and charge transport properties in rubrene derivatives |
| Authors of publication | S. Uttiya; L. Miozzo; E. M. Fumagalli; S. Bergantin; R. Ruffo; M. Parravicini; A. Papagni; M. Moret; A. Sassella |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 4147 - 4155 |
| a | 9.2392 ± 0.0002 Å |
| b | 20.2271 ± 0.0003 Å |
| c | 15.5813 ± 0.0004 Å |
| α | 90° |
| β | 103.638 ± 0.001° |
| γ | 90° |
| Cell volume | 2829.77 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218088 (current) | 2019-09-09 | cif/ Adding structures of 7233708 via cif-deposit CGI script. |
7233708.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.