Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543332
Preview
| Coordinates | 1543332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H27 N O4 S |
|---|---|
| Calculated formula | C29 H27 N O4 S |
| SMILES | c1cc(OC)ccc1[C@]1(NS(=O)(=O)Oc2ccccc12)C[C@@H](c1ccccc1C)c1ccccc1 |
| Title of publication | Construction of Cyclic Sulfamidates Bearing Two gem-Diaryl Stereocenters through a Rhodium-Catalyzed Stepwise Asymmetric Arylation Protocol. |
| Authors of publication | Zhang, Yu-Fang; Chen, Diao; Chen, Wen-Wen; Xu, Ming-Hua |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 11 |
| Pages of publication | 2726 - 2729 |
| a | 8.3536 ± 0.001 Å |
| b | 13.8716 ± 0.0016 Å |
| c | 21.444 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2484.9 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543332.cif |
| 187971 | 2016-11-06 | cif/ Updating files of 1543332 Original log message: Adding full bibliography for 1543332.cif. |
1543332.cif |
| 182993 | 2016-05-18 | cif/ Adding structures of 1543332 via cif-deposit CGI script. |
1543332.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.