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Information card for entry 7235490
Preview
| Coordinates | 7235490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H14 F N O S2 |
|---|---|
| Calculated formula | C16 H14 F N O S2 |
| Title of publication | Efficient construction of C–S and C–N bonds via metal-free reductive coupling of N-tosylhydrazones with benzo[d]thiazole-2-thiol |
| Authors of publication | Lin, Yuqing; Luo, Puying; Zheng, Qiang; Liu, Yumei; Sang, Xiaoyan; Ding, Qiuping |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 32 |
| Pages of publication | 16855 |
| a | 7.698 ± 0.003 Å |
| b | 8.149 ± 0.004 Å |
| c | 23.607 ± 0.01 Å |
| α | 90° |
| β | 92.03 ± 0.008° |
| γ | 90° |
| Cell volume | 1480 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1202 |
| Residual factor for significantly intense reflections | 0.114 |
| Weighted residual factors for significantly intense reflections | 0.2717 |
| Weighted residual factors for all reflections included in the refinement | 0.2753 |
| 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 |
| 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. |
7235490.cif |
| 233073 | 2019-11-23 | cif/ Adding structures of 7235489, 7235490 via cif-deposit CGI script. |
7235490.cif |
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Users of the data should acknowledge the original authors of the
structural data.