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Information card for entry 1567483
Preview
| Coordinates | 1567483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 N2 O2 |
|---|---|
| Calculated formula | C21 H18 N2 O2 |
| 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 | 8.0404 ± 0.0002 Å |
| b | 9.2472 ± 0.0003 Å |
| c | 11.6115 ± 0.0004 Å |
| α | 85.805 ± 0.002° |
| β | 74.493 ± 0.003° |
| γ | 77.63 ± 0.002° |
| Cell volume | 812.47 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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 |
|---|---|---|---|
| 277259 (current) | 2022-08-17 | cif/ Adding structures of 1567483, 1567484 via cif-deposit CGI script. |
1567483.cif |
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Users of the data should acknowledge the original authors of the
structural data.