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Information card for entry 7224640
Preview
| Coordinates | 7224640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H17 N O2 S |
|---|---|
| Calculated formula | C23 H17 N O2 S |
| SMILES | S(=O)(c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1 |
| Title of publication | Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies |
| Authors of publication | Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 33 |
| Pages of publication | 28015 |
| a | 5.626 ± 0.001 Å |
| b | 12.886 ± 0.002 Å |
| c | 24.399 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1768.8 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0885 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178327 (current) | 2016-03-18 | cif/ Adding structures of 7224639, 7224640 via cif-deposit CGI script. |
7224640.cif |
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Users of the data should acknowledge the original authors of the
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