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Information card for entry 7160471
Preview
| Coordinates | 7160471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 F3 N3 O |
|---|---|
| Calculated formula | C18 H18 F3 N3 O |
| Title of publication | Visible Light-Promoted Cascade Synthesis of Pyrazolidinones via N-Aryl Glycine and Azomethine Imines |
| Authors of publication | Udari, Ganesh; Jansirani, A.; Balasubramanian, Sridhar; Singh, Surya Prakash |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 15.854 ± 0.007 Å |
| b | 8.493 ± 0.004 Å |
| c | 26.645 ± 0.011 Å |
| α | 90° |
| β | 101.786 ± 0.005° |
| γ | 90° |
| Cell volume | 3512 ± 3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1615 |
| Residual factor for significantly intense reflections | 0.0763 |
| Weighted residual factors for significantly intense reflections | 0.2163 |
| Weighted residual factors for all reflections included in the refinement | 0.2698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298700 (current) | 2025-04-03 | cif/ Adding structures of 7160471 via cif-deposit CGI script. |
7160471.cif |
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Users of the data should acknowledge the original authors of the
structural data.