Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1562057
Preview
| Coordinates | 1562057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H30 O5 S Si |
|---|---|
| Calculated formula | C23 H30 O5 S Si |
| SMILES | [Si]([C@](SCCC(=O)OC)(O)C(=O)OC(C)(C)C)(C)(c1ccccc1)c1ccccc1 |
| Title of publication | Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters. |
| Authors of publication | Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming |
| Journal of publication | Chemical science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 21 |
| Pages of publication | 7498 - 7503 |
| a | 9.2424 ± 0.0003 Å |
| b | 8.7534 ± 0.0003 Å |
| c | 15.2178 ± 0.0004 Å |
| α | 90° |
| β | 96.784 ± 0.001° |
| γ | 90° |
| Cell volume | 1222.54 ± 0.07 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 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 | 0.0244 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562057.cif |
| 268620 | 2021-09-06 | cif/ Updating files of 1562057, 1562058 Original log message: Adding full bibliography for 1562057--1562058.cif. |
1562057.cif |
| 264504 | 2021-04-25 | cif/ Adding structures of 1562057, 1562058 via cif-deposit CGI script. |
1562057.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.