Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7158965
Preview
| Coordinates | 7158965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 N2 O4 S |
|---|---|
| Calculated formula | C26 H24 N2 O4 S |
| Title of publication | Catalytic divergent synthesis of imidazoles <i>via</i> reaction condition-dependent [3 + 2] cyclization of TosMIC. |
| Authors of publication | Zhao, Cheng; Gu, Man-Zhen; Chen, Yi-Yuan; Hu, Xiao-Wei; Xu, Yi-Bing; Lin, Xiao-Min; Liu, Xin-Ni; Chen, Long; Chen, Guo-Shu; Liu, Yun-Lin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2022 |
| a | 9.4115 ± 0.0007 Å |
| b | 17.492 ± 0.0018 Å |
| c | 13.8909 ± 0.001 Å |
| α | 90° |
| β | 94.077 ± 0.007° |
| γ | 90° |
| Cell volume | 2281 ± 0.3 Å3 |
| Cell temperature | 179.99 ± 0.1 K |
| Ambient diffraction temperature | 179.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1763 |
| Residual factor for significantly intense reflections | 0.1315 |
| Weighted residual factors for significantly intense reflections | 0.2928 |
| Weighted residual factors for all reflections included in the refinement | 0.3166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.428 |
| 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 |
|---|---|---|---|
| 278895 (current) | 2022-11-01 | cif/ Adding structures of 7158965, 7158966 via cif-deposit CGI script. |
7158965.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.