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Information card for entry 7122444
Preview
| Coordinates | 7122444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H15 N O5 |
|---|---|
| Calculated formula | C13 H15 N O5 |
| Title of publication | Stereogenic cis-2-substituted-N-acetyl-3-hydroxy-indolines via ruthenium(ii)-catalyzed dynamic kinetic resolution-asymmetric transfer hydrogenation. |
| Authors of publication | Luo, Zhonghua; Sun, Guodong; Zhou, Zihong; Liu, Guozhu; Luan, Baolei; Lin, Yicao; Zhang, Lei; Wang, Zhongqing |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 96 |
| Pages of publication | 13503 - 13506 |
| a | 5.12044 ± 0.00005 Å |
| b | 14.66642 ± 0.00014 Å |
| c | 16.34735 ± 0.00015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1227.66 ± 0.02 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122444.cif |
| 228581 | 2019-11-17 | cif/ Updating files of 7122444 Original log message: Adding full bibliography for 7122444.cif. |
7122444.cif |
| 211422 | 2018-10-13 | cif/ Adding structures of 7122444 via cif-deposit CGI script. |
7122444.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.