Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7133072
Preview
| Coordinates | 7133072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 N2 O4 |
|---|---|
| Calculated formula | C19 H20 N2 O4 |
| Title of publication | Aminoarylation of alkynes using diarylanilines. |
| Authors of publication | Liu, Zi; Greaney, Michael F. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 49 |
| Pages of publication | 6296 - 6299 |
| a | 8.1324 ± 0.0003 Å |
| b | 11.0134 ± 0.0005 Å |
| c | 20.24 ± 0.0008 Å |
| α | 77.534 ± 0.004° |
| β | 79.396 ± 0.004° |
| γ | 80.934 ± 0.004° |
| Cell volume | 1726.67 ± 0.13 Å3 |
| Cell temperature | 99.7 ± 0.7 K |
| Ambient diffraction temperature | 99.7 ± 0.7 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| 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 |
|---|---|---|---|
| 292824 (current) | 2024-07-05 | cif/ Updating files of 7133072 Original log message: Adding full bibliography for 7133072.cif. |
7133072.cif |
| 291985 | 2024-05-23 | cif/ Adding structures of 7133072 via cif-deposit CGI script. |
7133072.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.