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Information card for entry 2011843
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| Coordinates | 2011843.cif |
|---|---|
| Structure factors | 2011843.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'-(2,4,8,10-tetrathiaspiro[5.5]undecane-3,9-diylidene)bis(propanedinitrile) |
|---|---|
| Formula | C13 H8 N4 S4 |
| Calculated formula | C13 H8 N4 S4 |
| SMILES | N#CC(=C1SCC2(CS1)CSC(=C(C#N)C#N)SC2)C#N |
| Title of publication | 3,9-Bis(dicyanomethylene)-2,4,8,10-tetrathiaspiro[5.5]undecane |
| Authors of publication | Zhou, Zheng-Rong; Xu, Wei; Xia, Yi; Wang, Quan-Rui; Ding, Zong-Biao; Chen, Min-Qin; Hua, Zhong-Yi; Tao, Feng-Gang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 471 - 472 |
| a | 12.596 ± 0.008 Å |
| b | 7.157 ± 0.002 Å |
| c | 16.498 ± 0.003 Å |
| α | 90° |
| β | 95.53 ± 0.03° |
| γ | 90° |
| Cell volume | 1480.4 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.103 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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