Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126763
Preview
| Coordinates | 4126763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H49 Co O0.5 P2 |
|---|---|
| Calculated formula | C54 H49 Co O0.5 P2 |
| Title of publication | Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes. |
| Authors of publication | Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 10.9844 ± 0.001 Å |
| b | 16.4651 ± 0.0016 Å |
| c | 25.451 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4603 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Weighted residual factors for all reflections included in the refinement | 0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203511 (current) | 2017-11-24 | cif/ Adding structures of 4126763 via cif-deposit CGI script. |
4126763.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.