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Information card for entry 2214443
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| Coordinates | 2214443.cif |
|---|---|
| Structure factors | 2214443.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1-Dichloro-3-(6,1,3-oxadithiaoctocan-2-ylidene)-3-nitro- 2-(4-methylphenylsulfanyl)propene |
|---|---|
| Formula | C15 H15 Cl2 N O3 S3 |
| Calculated formula | C15 H15 Cl2 N O3 S3 |
| SMILES | S1C(=C(N(=O)=O)C(=C(Cl)Cl)Sc2ccc(cc2)C)SCCOCC1 |
| Title of publication | 1,1-Dichloro-3-(6,1,3-oxadithiaoctocan-2-ylidene)-3-nitro-2-(4-methylphenylsulfanyl)propene |
| Authors of publication | Ibis, Cemil; Deniz, N.Gulsah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3058 - o3058 |
| a | 13.5112 ± 0.0005 Å |
| b | 18.0213 ± 0.0006 Å |
| c | 7.5559 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1839.78 ± 0.1 Å3 |
| Cell temperature | 293.5 K |
| Number of distinct elements | 6 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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