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Information card for entry 4038716
Preview
| Coordinates | 4038716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 O2 |
|---|---|
| Calculated formula | C21 H20 O2 |
| Title of publication | Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles. |
| Authors of publication | Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 8.7209 ± 0.0001 Å |
| b | 8.7209 ± 0.0001 Å |
| c | 41.8621 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3183.78 ± 0.07 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255670 (current) | 2020-08-27 | cif/ Adding structures of 4038716 via cif-deposit CGI script. |
4038716.cif |
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