Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4129782
Preview
| Coordinates | 4129782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 N4 O4 |
|---|---|
| Calculated formula | C26 H24 N4 O4 |
| Title of publication | Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies. |
| Authors of publication | Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 49 |
| Pages of publication | 15518 - 15527 |
| a | 13.426 ± 0.002 Å |
| b | 10.852 ± 0.002 Å |
| c | 15.863 ± 0.003 Å |
| α | 90° |
| β | 100.065 ± 0.004° |
| γ | 90° |
| Cell volume | 2275.7 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240436 (current) | 2019-11-25 | cif/ Adding structures of 4129782 via cif-deposit CGI script. |
4129782.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.