Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4130591
Preview
| Coordinates | 4130591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C298 H338 N16 O41 |
|---|---|
| Calculated formula | C298 H338 N16 O41 |
| Title of publication | Sliding-Ring Catenanes. |
| Authors of publication | Fernando, Isurika R.; Frasconi, Marco; Wu, Yilei; Liu, Wei-Guang; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 32 |
| Pages of publication | 10214 - 10225 |
| a | 20.1201 ± 0.0009 Å |
| b | 26.1627 ± 0.0012 Å |
| c | 26.488 ± 0.0012 Å |
| α | 87.674 ± 0.003° |
| β | 69.262 ± 0.002° |
| γ | 78.983 ± 0.003° |
| Cell volume | 12793.9 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1261 |
| Residual factor for significantly intense reflections | 0.0849 |
| Weighted residual factors for significantly intense reflections | 0.2244 |
| Weighted residual factors for all reflections included in the refinement | 0.2608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240991 (current) | 2019-11-25 | cif/ Adding structures of 4130591 via cif-deposit CGI script. |
4130591.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.