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Information card for entry 7160822
Preview
| Coordinates | 7160822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H10 F3 N O2 |
|---|---|
| Calculated formula | C17 H10 F3 N O2 |
| Title of publication | Base-Catalyzed Regio-and Stereoselective Addition of Isatins to Trifluoromethylated Alkynes for Preparation of N-Alkenylisatins |
| Authors of publication | Ma, Minglan; Liu, Guangyuan; Meng, Fangyu; Li, Qiang; Zhou, Yirong |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.5755 ± 0.0001 Å |
| b | 10.6276 ± 0.0001 Å |
| c | 14.3122 ± 0.0001 Å |
| α | 90° |
| β | 100.156 ± 0.001° |
| γ | 90° |
| Cell volume | 1433.65 ± 0.02 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0655 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303054 (current) | 2025-10-28 | cif/ Adding structures of 7160822 via cif-deposit CGI script. |
7160822.cif |
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Users of the data should acknowledge the original authors of the
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