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Information card for entry 4038711
Preview
| Coordinates | 4038711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H39 N O4 S |
|---|---|
| Calculated formula | C37 H39 N O4 S |
| Title of publication | Synthesis of 1,4-Dihydroquinolines and 4<i>H</i>-Chromenes via Organocatalytic Domino Aza/Oxa-Michael/1,6-Addition Reactions of <i>para</i>-Quinone Methides and Ynals. |
| Authors of publication | Wang, Junwei; Rong, Quanjin; Zhao, Lei; Pan, Xiang; Zhao, Lin; Zhao, Kun; Hu, Lihong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 9.0613 ± 0.001 Å |
| b | 17.674 ± 0.002 Å |
| c | 20.106 ± 0.002 Å |
| α | 90° |
| β | 101.443 ± 0.005° |
| γ | 90° |
| Cell volume | 3156 ± 0.6 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255562 (current) | 2020-08-22 | cif/ Adding structures of 4038711 via cif-deposit CGI script. |
4038711.cif |
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