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Information card for entry 7242872
Preview
| Coordinates | 7242872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H31 N4 O S |
|---|---|
| Calculated formula | C28 H31 N4 O S |
| Title of publication | Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives |
| Authors of publication | Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2021 |
| a | 13.815 ± 0.004 Å |
| b | 10.555 ± 0.003 Å |
| c | 17.808 ± 0.005 Å |
| α | 90° |
| β | 111.233 ± 0.008° |
| γ | 90° |
| Cell volume | 2420.4 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.1654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1189 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265327 (current) | 2021-05-19 | cif/ Adding structures of 7242872, 7242873 via cif-deposit CGI script. |
7242872.cif |
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Users of the data should acknowledge the original authors of the
structural data.