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Information card for entry 7251254
Preview
| Coordinates | 7251254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H17 F6 N O |
|---|---|
| Calculated formula | C21 H17 F6 N O |
| Title of publication | Rearrangement-Driven Divergent Synthesis: A Metal-Free Tandem Annulation for CF3-Functionalized 1-(Aminomethyl)naphthalen-2-ols and 1-(2-Naphthyl)azetidines |
| Authors of publication | Wang, Bin; Li, Zekun; Cao, Hua |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 9.1569 ± 0.0002 Å |
| b | 22.3534 ± 0.0004 Å |
| c | 9.6077 ± 0.0002 Å |
| α | 90° |
| β | 109.638 ± 0.002° |
| γ | 90° |
| Cell volume | 1852.19 ± 0.07 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 169.99 ± 0.1 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 | 0.0514 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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 |
|---|---|---|---|
| 303239 (current) | 2025-11-09 | cif/ Adding structures of 7251254, 7251255, 7251256 via cif-deposit CGI script. |
7251254.cif |
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Users of the data should acknowledge the original authors of the
structural data.