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Information card for entry 7231778
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| Coordinates | 7231778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(4-fluorophenyl)-<i>N</i>-phenyl-2-(phenylamino)ethanesulfonamide ‒ toluene (1/0.5) |
|---|---|
| Formula | C23.5 H23 F N2 O2 S |
| Calculated formula | C23.5 H23 F N2 O2 S |
| Title of publication | Synthesis of novel 1,2,4-thiadiazinane 1,1-dioxides via three component SuFEx type reaction |
| Authors of publication | Khumalo, Mzilikazi F.; Akpan, Ekemini D.; Chinthakindi, Praveen K.; Brasil, Edikarlos M.; Rajbongshi, Kamal K.; Makatini, Maya M.; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia; Arvidsson, Per I. |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 65 |
| Pages of publication | 37503 |
| a | 27.2594 ± 0.0019 Å |
| b | 5.7351 ± 0.0004 Å |
| c | 26.1139 ± 0.0018 Å |
| α | 90° |
| β | 102.009 ± 0.002° |
| γ | 90° |
| Cell volume | 3993.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.02 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211852 (current) | 2018-11-08 | cif/ Adding structures of 7231778 via cif-deposit CGI script. |
7231778.cif |
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Users of the data should acknowledge the original authors of the
structural data.