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Information card for entry 7160491
Preview
| Coordinates | 7160491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H17 Cl2 F3 O4 |
|---|---|
| Calculated formula | C27 H17 Cl2 F3 O4 |
| Title of publication | Accessing polysubstituted 2-cyclopentenones via base mediated annulation of β-keto esters and phenacyl bromides |
| Authors of publication | Senthilkumar, Beeran; Kumar, Mohit; Paul, Vincent; Gamidi, Rama Krishna |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 6.2659 ± 0.0009 Å |
| b | 14.989 ± 0.002 Å |
| c | 24.786 ± 0.003 Å |
| α | 90° |
| β | 94.532 ± 0.005° |
| γ | 90° |
| Cell volume | 2320.6 ± 0.5 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298734 (current) | 2025-04-05 | cif/ Adding structures of 7160489, 7160490, 7160491 via cif-deposit CGI script. |
7160491.cif |
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Users of the data should acknowledge the original authors of the
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