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Information card for entry 1543476
Preview
| Coordinates | 1543476.cif |
|---|---|
| Structure factors | 1543476.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(Carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate |
|---|---|
| Formula | C24 H36 N6 O4 S4 |
| Calculated formula | C24 H36 N6 O4 S4 |
| Title of publication | 1-((<i>E</i>)-{2-[4-(2-{(1<i>E</i>)-[(carbamothioylamino)imino]methyl}phenoxy)butoxy]benzylidene}amino)thiourea dimethyl sulfoxide disolvate |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdel-Raheem, Eman M. M.; Albayati, Mustafa R. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 6 |
| Pages of publication | x160946 |
| a | 7.2571 ± 0.0002 Å |
| b | 9.7909 ± 0.0002 Å |
| c | 12.006 ± 0.0002 Å |
| α | 112.984 ± 0.001° |
| β | 98.163 ± 0.001° |
| γ | 96.909 ± 0.001° |
| Cell volume | 762.8 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1582 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183688 (current) | 2016-06-18 | cif/ hkl/ Adding structures of 1543476 via cif-deposit CGI script. |
1543476.cif 1543476.hkl |
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Users of the data should acknowledge the original authors of the
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