Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248364
Preview
| Coordinates | 7248364.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H9 F3 O2 S |
|---|---|
| Calculated formula | C16 H9 F3 O2 S |
| SMILES | s1c2ccccc2c(O)c1C(=O)c1ccc(cc1)C(F)(F)F |
| Title of publication | Facile synthesis of substituted 2-aroylbenzo[b]thiophen-3-ols to form novel triazole hybrids using click chemistry |
| Authors of publication | Mukhtar, Asma; Hussain, Arif; Younas, Faiza; Yousuf, Sammer; Saeed, Muhammad |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 15 |
| Pages of publication | 10270 - 10279 |
| a | 6.5671 ± 0.001 Å |
| b | 7.2171 ± 0.0011 Å |
| c | 14.364 ± 0.002 Å |
| α | 85.588 ± 0.004° |
| β | 81.019 ± 0.004° |
| γ | 83.178 ± 0.004° |
| Cell volume | 666.5 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.275 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290709 (current) | 2024-03-29 | cif/ Adding structures of 7248364 via cif-deposit CGI script. |
7248364.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.