Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233578
Preview
| Coordinates | 7233578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | INDOLINE |
|---|---|
| Formula | C18 H18 N2 O3 |
| Calculated formula | C18 H18 N2 O3 |
| Title of publication | Access to indolines from primary phenylethylamines by an unexpected palladium-catalyzed C‒H functionalization process |
| Authors of publication | Mancinelli, Andrea; Albert, Joan; Ariza, Xavier; Barrios, Leoní A.; Garcia, Jordi; Gómez, Roberto; Granell, Jaume |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 47 |
| Pages of publication | 27176 |
| a | 9.7644 ± 0.0015 Å |
| b | 12.097 ± 0.002 Å |
| c | 13.137 ± 0.002 Å |
| α | 90° |
| β | 94.859 ± 0.011° |
| γ | 90° |
| Cell volume | 1546.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0873 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1688 |
| Weighted residual factors for all reflections included in the refinement | 0.192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217865 (current) | 2019-08-30 | cif/ Adding structures of 7233578 via cif-deposit CGI script. |
7233578.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.