Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160025
Preview
| Coordinates | 7160025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 O2 |
|---|---|
| Calculated formula | C17 H14 O2 |
| Title of publication | Carbonylative cyclization of biaryl enones with aldehydes and oxamic acids. |
| Authors of publication | Reddy, Chada Raji; Kolgave, Dattahari H.; Fatima, Sana; Ramesh, Remya |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 24 |
| Pages of publication | 4901 - 4911 |
| a | 18.905 ± 0.006 Å |
| b | 7.073 ± 0.002 Å |
| c | 18.994 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2539.8 ± 1.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292749 (current) | 2024-07-05 | cif/ Adding structures of 7160024, 7160025 via cif-deposit CGI script. |
7160025.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.