Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7230975
Preview
| Coordinates | 7230975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H24 N4 O4 S |
|---|---|
| Calculated formula | C25 H24 N4 O4 S |
| Title of publication | Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters |
| Authors of publication | Sun, Jing; Zhang, Yu; Yan, Chao-Guo |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 40 |
| Pages of publication | 22498 |
| a | 18.926 ± 0.003 Å |
| b | 9.4145 ± 0.0014 Å |
| c | 15.008 ± 0.003 Å |
| α | 90° |
| β | 112.887 ± 0.005° |
| γ | 90° |
| Cell volume | 2463.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230975.cif |
| 208565 | 2018-06-20 | cif/ Adding structures of 7230966, 7230967, 7230968, 7230969, 7230970, 7230971, 7230972, 7230973, 7230974, 7230975 via cif-deposit CGI script. |
7230975.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.