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Information card for entry 7156693
Preview
| Coordinates | 7156693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 N O3 S |
|---|---|
| Calculated formula | C24 H27 N O3 S |
| Title of publication | Palladium-catalyzed intermolecular [4 + 2] formal cycloaddition with (Z)-3-iodo allylic nucleophiles and allenamides. |
| Authors of publication | Yan, Fachao; Liang, Hanbing; Ai, Bing; Liang, Wenjing; Jiao, Luyang; Yao, Shuzhi; Zhao, Pingping; Liu, Qing; Dong, Yunhui; Liu, Hui |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 10 |
| Pages of publication | 2651 - 2656 |
| a | 8.9412 ± 0.0015 Å |
| b | 11.6147 ± 0.0019 Å |
| c | 11.727 ± 0.002 Å |
| α | 92.06 ± 0.005° |
| β | 111.91 ± 0.005° |
| γ | 102.119 ± 0.005° |
| Cell volume | 1095.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225049 (current) | 2019-11-08 | cif/ Updating files of 7156693 Original log message: Adding full bibliography for 7156693.cif. |
7156693.cif |
| 213681 | 2019-02-16 | cif/ Adding structures of 7156693 via cif-deposit CGI script. |
7156693.cif |
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Users of the data should acknowledge the original authors of the
structural data.