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Information card for entry 7250850
Preview
| Coordinates | 7250850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 Cl3 O |
|---|---|
| Calculated formula | C14 H9 Cl3 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 | 11.946 ± 0.0003 Å |
| b | 8.9801 ± 0.0002 Å |
| c | 12.6848 ± 0.0003 Å |
| α | 90° |
| β | 99.683 ± 0.001° |
| γ | 90° |
| Cell volume | 1341.39 ± 0.06 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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. |
7250850.cif |
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Users of the data should acknowledge the original authors of the
structural data.