Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247200
Preview
| Coordinates | 7247200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | OIS-S-2021-152 |
|---|---|
| Formula | C13 H10 N2 O2 S |
| Calculated formula | C13 H10 N2 O2 S |
| SMILES | S1(=O)(=NC(=O)Nc2ccccc12)c1ccccc1 |
| Title of publication | Intramolecular cyclization of N-cyano sulfoximines by N–CN bond activation |
| Authors of publication | Seo, Ye Ji; Kim, Eunsil; Oh, In Seok; Hyun, Ji Young; Song, Ji Ho; Lim, Hwan Jung; Park, Seong Jun |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 35 |
| Pages of publication | 24445 - 24449 |
| a | 8.3198 ± 0.0002 Å |
| b | 9.8246 ± 0.0002 Å |
| c | 14.0426 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1147.82 ± 0.04 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285654 (current) | 2023-08-15 | cif/ Adding structures of 7247200 via cif-deposit CGI script. |
7247200.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.