Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4127446
Preview
| Coordinates | 4127446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H31 F6 N3 Sb |
|---|---|
| Calculated formula | C27 H31 F6 N3 Sb |
| Title of publication | Organic Redox Systems Based on Pyridinium-Carbene Hybrids. |
| Authors of publication | Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 24 |
| Pages of publication | 9701 - 9711 |
| a | 9.8395 ± 0.0006 Å |
| b | 18.5942 ± 0.001 Å |
| c | 15.5356 ± 0.0007 Å |
| α | 90° |
| β | 108.171 ± 0.002° |
| γ | 90° |
| Cell volume | 2700.6 ± 0.3 Å3 |
| Cell temperature | 99.97 K |
| Ambient diffraction temperature | 99.97 K |
| Number of distinct elements | 5 |
| 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 | 0.0301 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0651 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220719 (current) | 2019-11-02 | cif/ Adding structures of 4127446 via cif-deposit CGI script. |
4127446.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.