Information card for entry 2227707

Structure parameters

• Chemical name: 3,9-Diisopropyl-2,4,8,10-tetrathiaspiro[5.5]undecane
• Formula: C13 H24 S4
• Calculated formula: C13 H24 S4
• SMILES: CC([C@@H]1SC[C@]2(CS1)CS[C@@H](SC2)C(C)C)C.CC([C@H]1SC[C@@]2(CS1)CS[C@H](SC2)C(C)C)C
• Title of publication: 3,9-Diisopropyl-2,4,8,10-tetrathiaspiro[5.5]undecane
• Authors of publication: Gâz, Şerban Andrei; Dobra, Ioana; Woiczechowski-Pop, Adrian; Varga, Richard A.; Grosu, Ion
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2618
• a: 16.701 ± 0.005 Å
• b: 10.241 ± 0.003 Å
• c: 12.063 ± 0.003 Å
• α: 90°
• β: 128.418 ± 0.004°
• γ: 90°
• Cell volume: 1616.5 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes