Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117251
Preview
| Coordinates | 7117251.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H21 Cl2 N |
|---|---|
| Calculated formula | C79 H21 Cl2 N |
| Title of publication | One-pot selective synthesis of a fullerene bisadduct for organic solar cell applications |
| Authors of publication | Bolong Zhang; Jegadesan Subbiah; Yu-Ying Lai; Jonathan M. White; David J. Jones; Wallace W. H. Wong |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 9837 |
| a | 10.4764 ± 0.0003 Å |
| b | 25.5317 ± 0.0006 Å |
| c | 16.5265 ± 0.0005 Å |
| α | 90° |
| β | 102.296 ± 0.003° |
| γ | 90° |
| Cell volume | 4319.1 ± 0.2 Å3 |
| Cell temperature | 130.01 ± 0.1 K |
| Ambient diffraction temperature | 130.01 ± 0.1 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 | 0.117 |
| Residual factor for significantly intense reflections | 0.106 |
| Weighted residual factors for significantly intense reflections | 0.2847 |
| Weighted residual factors for all reflections included in the refinement | 0.2953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137871 (current) | 2015-06-04 | cif/ Adding structures of 7117251 via cif-deposit CGI script. |
7117251.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.