Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7132130
Preview
| Coordinates | 7132130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H60 N2 O Pd |
|---|---|
| Calculated formula | C44 H60 N2 O Pd |
| Title of publication | Swift C–C Bond Insertion by a 12-Electron Palladium(0) Surrogate |
| Authors of publication | Breitwieser, Kevin; Dankert, Fabian; Gruenwald, Annette; Mayer, Paula R.; Heinemann, Frank; Munz, Dominik |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 12.9417 ± 0.0008 Å |
| b | 17.462 ± 0.0011 Å |
| c | 18.3894 ± 0.0011 Å |
| α | 90° |
| β | 105.537 ± 0.002° |
| γ | 90° |
| Cell volume | 4003.9 ± 0.4 Å3 |
| Cell temperature | 155.75 K |
| Ambient diffraction temperature | 155.75 K |
| Number of distinct elements | 5 |
| 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286338 (current) | 2023-09-15 | cif/ Adding structures of 7132127, 7132128, 7132129, 7132130, 7132131 via cif-deposit CGI script. |
7132130.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.