Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134995
Preview
| Coordinates | 7134995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 N2 O2 |
|---|---|
| Calculated formula | C27 H22 N2 O2 |
| Title of publication | Cobalt-Catalyzed Regioselective (4+2)-Annulation of Benzamides with Allenyl Carbinol Acetates: Access to 3-Vinylisoquinolinones |
| Authors of publication | Volla, Chandra; Kumar, Pravin; Dash, Om Prakash |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 5.8439 ± 0.0002 Å |
| b | 38.1781 ± 0.0014 Å |
| c | 9.1909 ± 0.0005 Å |
| α | 90° |
| β | 94.124 ± 0.004° |
| γ | 90° |
| Cell volume | 2045.26 ± 0.15 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302172 (current) | 2025-09-18 | cif/ Adding structures of 7134995 via cif-deposit CGI script. |
7134995.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.