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Information card for entry 7129185
Preview
| Coordinates | 7129185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H25 Cl N2 O3 S |
|---|---|
| Calculated formula | C21 H25 Cl N2 O3 S |
| Title of publication | An asymmetric oxidative cyclization/Mannich-type addition cascade reaction for direct access to chiral pyrrolidin-3-ones |
| Authors of publication | Zhou, Su; Xie, Xiongda; Xu, Xinxin; Dong, Shanliang; Hu, Wenhao; Xu, Xinfang |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 7.1972 ± 0.0002 Å |
| b | 13.8507 ± 0.0002 Å |
| c | 11.1349 ± 0.0002 Å |
| α | 90° |
| β | 108.671 ± 0.002° |
| γ | 90° |
| Cell volume | 1051.58 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| 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 |
|---|---|---|---|
| 270214 (current) | 2021-11-03 | cif/ Adding structures of 7129185 via cif-deposit CGI script. |
7129185.cif |
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