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Information card for entry 7251256
Preview
| Coordinates | 7251256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 F3 N O2 |
|---|---|
| Calculated formula | C15 H14 F3 N O2 |
| 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 | 5.49673 ± 0.00014 Å |
| b | 20.9321 ± 0.0005 Å |
| c | 23.4394 ± 0.0005 Å |
| α | 90° |
| β | 92.345 ± 0.002° |
| γ | 90° |
| Cell volume | 2694.63 ± 0.11 Å3 |
| Cell temperature | 99.98 ± 0.1 K |
| Ambient diffraction temperature | 99.98 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303239 (current) | 2025-11-09 | cif/ Adding structures of 7251254, 7251255, 7251256 via cif-deposit CGI script. |
7251256.cif |
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Users of the data should acknowledge the original authors of the
structural data.