Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250849
Preview
| Coordinates | 7250849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Br F O |
|---|---|
| Calculated formula | C14 H10 Br F O |
| Title of publication | Base mediated approach for the synthesis of deoxybenzoins using γ-aryl-β-ketoesters and benzoyl chlorides |
| Authors of publication | Choudhary, Shailendra Singh; Darole, Ratanamala S.; Krishna, Gamidi Rama; Senthilkumar, Beeran |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 39 |
| Pages of publication | 32424 - 32430 |
| a | 28.7831 ± 0.0018 Å |
| b | 10.638 ± 0.0006 Å |
| c | 8.1073 ± 0.0005 Å |
| α | 90° |
| β | 99.183 ± 0.002° |
| γ | 90° |
| Cell volume | 2450.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302086 (current) | 2025-09-10 | cif/ Adding structures of 7250848, 7250849, 7250850 via cif-deposit CGI script. |
7250849.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.