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Information card for entry 1567484
Preview
| Coordinates | 1567484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H16 F2 N2 O3 |
|---|---|
| Calculated formula | C20 H16 F2 N2 O3 |
| Title of publication | Base-Promoted Cascade β-F-Elimination/Electrocyclization/Diels-Alder/Retro-Diels-Alder Reaction: Efficient Access to δ-Carboline Derivatives |
| Authors of publication | Sun, Xi-Shang; Diao, Xin-Yu; Dong, Xiu-Qin; Wang, Chun-Jiang |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.4381 ± 0.0004 Å |
| b | 17.2549 ± 0.0014 Å |
| c | 20.9737 ± 0.0014 Å |
| α | 108.139 ± 0.006° |
| β | 90.02 ± 0.02° |
| γ | 107.606 ± 0.002° |
| Cell volume | 3403 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277259 (current) | 2022-08-17 | cif/ Adding structures of 1567483, 1567484 via cif-deposit CGI script. |
1567484.cif |
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Users of the data should acknowledge the original authors of the
structural data.