Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550627
Preview
| Coordinates | 1550627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H46 O4 |
|---|---|
| Calculated formula | C44 H46 O4 |
| Title of publication | Copper-Catalyzed 1,4-Alkylarylation of 1,3-Enynes with Masked Alkyl Electrophiles |
| Authors of publication | Ye, Changqing; Li, Yajun; Zhu, Xiaotao; Hu, Shengmin; Yuan, Daqiang; Bao, Hongli |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.8484 ± 0.0004 Å |
| b | 11.0591 ± 0.0005 Å |
| c | 15.2489 ± 0.0006 Å |
| α | 76.98 ± 0.004° |
| β | 84.293 ± 0.003° |
| γ | 86.909 ± 0.003° |
| Cell volume | 1772.66 ± 0.13 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.3405 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213712 (current) | 2019-02-20 | cif/ Adding structures of 1550627 via cif-deposit CGI script. |
1550627.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.