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Information card for entry 7112583
Preview
| Coordinates | 7112583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 O2 S2 |
|---|---|
| Calculated formula | C12 H10 O2 S2 |
| SMILES | s1c(ccc1)C(=O)CCC(=O)c1cccs1 |
| Title of publication | Synthesis of a novel thiophene derivative that induces cancer cell apoptosis through modulation of AKT and MAPK pathways |
| Authors of publication | Luo, Yi; Li, Xiaoling; Chen, Tianfeng; Wang, Yi; Zheng, Wenjie |
| Journal of publication | MedChemComm |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 9 |
| Pages of publication | 1143 |
| a | 5.6345 ± 0.0003 Å |
| b | 6.2244 ± 0.0003 Å |
| c | 16.3779 ± 0.0009 Å |
| α | 90° |
| β | 92.902 ± 0.004° |
| γ | 90° |
| Cell volume | 573.66 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0752 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1745 |
| Weighted residual factors for all reflections included in the refinement | 0.19 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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