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Information card for entry 4519250
Preview
| Coordinates | 4519250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H18 N2 O5 S |
|---|---|
| Calculated formula | C13 H18 N2 O5 S |
| Title of publication | Monocationic Cinchoninium Catalyzed Asymmetric Oxohydroxylation of Enoates |
| Authors of publication | Li, Shuangqing; Wang, Shuangshuang; Li, Juan; Qi, Yue; Wang, Chao; Zong, Lili; Tan, Choon-Hong |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 24 |
| Pages of publication | 15141 - 15148 |
| a | 15.2089 ± 0.0014 Å |
| b | 6.4415 ± 0.0005 Å |
| c | 15.8188 ± 0.0013 Å |
| α | 90° |
| β | 103.255 ± 0.009° |
| γ | 90° |
| Cell volume | 1508.5 ± 0.2 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0742 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271745 (current) | 2022-01-03 | cif/ Adding structures of 4519250 via cif-deposit CGI script. |
4519250.cif |
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Users of the data should acknowledge the original authors of the
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