Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518972
Preview
| Coordinates | 4518972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 N2 O2 |
|---|---|
| Calculated formula | C20 H20 N2 O2 |
| Title of publication | Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach |
| Authors of publication | Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 10847 - 10854 |
| a | 16.795 ± 0.007 Å |
| b | 7.392 ± 0.003 Å |
| c | 26.651 ± 0.01 Å |
| α | 90° |
| β | 91.163 ± 0.009° |
| γ | 90° |
| Cell volume | 3308 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268404 (current) | 2021-09-03 | cif/ Adding structures of 4518972 via cif-deposit CGI script. |
4518972.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.