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Information card for entry 7238765
Preview
| Coordinates | 7238765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 Br2 N2 O2 S2 |
|---|---|
| Calculated formula | C11 H11 Br N2 O S |
| Title of publication | Cu(ii) catalysed chemoselective oxidative transformation of thiourea to thioamidoguanidine/2-aminobenzothiazole |
| Authors of publication | Sahoo, Santosh K.; Khatun, Nilufa; Gogoi, Anupal; Deb, Arghya; Patel, Bhisma K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 438 |
| a | 10.1289 ± 0.0003 Å |
| b | 11.2225 ± 0.0003 Å |
| c | 11.7532 ± 0.0004 Å |
| α | 94.059 ± 0.002° |
| β | 112.599 ± 0.002° |
| γ | 107.266 ± 0.002° |
| Cell volume | 1151.66 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.383 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244338 (current) | 2019-11-28 | cif/ Adding structures of 7238764, 7238765 via cif-deposit CGI script. |
7238765.cif |
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Users of the data should acknowledge the original authors of the
structural data.