Information card for entry 2011843

Structure parameters

• 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 ų
• 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