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Information card for entry 7160202
Preview
| Coordinates | 7160202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 Cl F3 N2 |
|---|---|
| Calculated formula | C16 H12 Cl F3 N2 |
| Title of publication | Facile access to trifluoromethyl propargyl alcohol by metal free transfer hydrogenation and cyanation of alkynyl Ketone |
| Authors of publication | Panda, Tarun K.; Devadkar , Ajitaro; Paul, Ishita; Dey, Soumyadip; Sau, Abhijit |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 13.9662 ± 0.0018 Å |
| b | 6.6425 ± 0.0008 Å |
| c | 16.868 ± 0.002 Å |
| α | 90° |
| β | 106.588 ± 0.005° |
| γ | 90° |
| Cell volume | 1499.7 ± 0.3 Å3 |
| Cell temperature | 305 ± 2 K |
| Ambient diffraction temperature | 305 ± 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 | 0.0728 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295739 (current) | 2024-11-04 | cif/ Adding structures of 7160200, 7160201, 7160202 via cif-deposit CGI script. |
7160202.cif |
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Users of the data should acknowledge the original authors of the
structural data.