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Information card for entry 7225578
Preview
| Coordinates | 7225578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 F N2 S |
|---|---|
| Calculated formula | C17 H11 F N2 S |
| SMILES | s1c(Nc2c(F)cc(cc2)c2ccccc2)c(cc1)C#N |
| Title of publication | Catalyst-Free and Selective Synthesis of 2-Aminothiophenes and 2-Amino-4,5-dihydrothiophenes from 4-Thiazolidinones in Water |
| Authors of publication | Zeng, Fanxun; Liu, Pengjian; Li, Z.; Shao, Xusheng; Xu, Xiaoyong |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.477 ± 0.0015 Å |
| b | 8.6108 ± 0.0014 Å |
| c | 10.4033 ± 0.0015 Å |
| α | 105.09 ± 0.003° |
| β | 96.643 ± 0.002° |
| γ | 95.659 ± 0.003° |
| Cell volume | 721.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0775 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183667 (current) | 2016-06-17 | cif/ Adding structures of 7225577, 7225578 via cif-deposit CGI script. |
7225578.cif |
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Users of the data should acknowledge the original authors of the
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