Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564270
Preview
| Coordinates | 1564270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H63 Cu N2 O |
|---|---|
| Calculated formula | C73 H63 Cu N2 O |
| Title of publication | Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization |
| Authors of publication | Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 11.7794 ± 0.0006 Å |
| b | 24.2731 ± 0.0012 Å |
| c | 20.7191 ± 0.0011 Å |
| α | 90° |
| β | 96.956 ± 0.002° |
| γ | 90° |
| Cell volume | 5880.5 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267840 (current) | 2021-07-31 | cif/ Adding structures of 1564266, 1564267, 1564268, 1564269, 1564270, 1564271, 1564272, 1564273, 1564274, 1564275 via cif-deposit CGI script. |
1564270.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.