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Information card for entry 7160388
Preview
| Coordinates | 7160388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 F3 N2 O3 |
|---|---|
| Calculated formula | C16 H17 F3 N2 O3 |
| Title of publication | Copper-catalyzed enantioselective propargylic [3 + 2] cycloaddition: access to oxygen heterocycles featuring a CF<sub>3</sub>-substituted quaternary stereocenter. |
| Authors of publication | Rohilla, Shweta; Khan, Zahid Ahmad; Singh, Vinod K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 11 |
| Pages of publication | 2731 - 2736 |
| a | 7.9229 ± 0.0004 Å |
| b | 7.0647 ± 0.0003 Å |
| c | 13.8678 ± 0.0006 Å |
| α | 90° |
| β | 92.798 ± 0.002° |
| γ | 90° |
| Cell volume | 775.3 ± 0.06 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299128 (current) | 2025-04-05 | cif/ Updating files of 7160387, 7160388 Original log message: Adding full bibliography for 7160387--7160388.cif. |
7160388.cif |
| 297798 | 2025-02-20 | cif/ Adding structures of 7160387, 7160388 via cif-deposit CGI script. |
7160388.cif |
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Users of the data should acknowledge the original authors of the
structural data.