Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7122800
Preview
| Coordinates | 7122800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116.5 H138.5 N4 O2 |
|---|---|
| Calculated formula | C116.5 H138.5 N4 O2 |
| Title of publication | Visible light intensity dependent negative photochromism of a binaphthyl-bridged phenoxyl-imidazolyl radical complex. |
| Authors of publication | Yonekawa, Izumi; Mutoh, Katsuya; Abe, Jiro |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| a | 17.5774 ± 0.0013 Å |
| b | 19.6323 ± 0.0013 Å |
| c | 29.878 ± 0.003 Å |
| α | 90° |
| β | 105.803 ± 0.003° |
| γ | 90° |
| Cell volume | 9920.7 ± 1.4 Å3 |
| Cell temperature | 103 K |
| Ambient diffraction temperature | 103 K |
| Number of distinct elements | 4 |
| 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 | 0.12 |
| Residual factor for significantly intense reflections | 0.0839 |
| Weighted residual factors for significantly intense reflections | 0.2525 |
| Weighted residual factors for all reflections included in the refinement | 0.2867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213019 (current) | 2019-01-13 | cif/ Adding structures of 7122800 via cif-deposit CGI script. |
7122800.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.