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Information card for entry 7238764
Preview
| Coordinates | 7238764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N4 S |
|---|---|
| Calculated formula | C22.4 H30.4 N3.2 S0.8 |
| 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 | 9.5021 ± 0.0013 Å |
| b | 11.2799 ± 0.0014 Å |
| c | 24.739 ± 0.003 Å |
| α | 90° |
| β | 95.125 ± 0.008° |
| γ | 90° |
| Cell volume | 2641 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1134 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
7238764.cif |
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Users of the data should acknowledge the original authors of the
structural data.