Information card for entry 7153219

Structure parameters

• Formula: C20 H36 S4
• Calculated formula: C20 H36 S4
• SMILES: S1C2(SCCC1)CCCCC1(SCCCS1)CCCCCCCC2
• Title of publication: Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).
• Authors of publication: Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 47
• Pages of publication: 8209 - 8213
• a: 6.748 ± 0.005 Å
• b: 17.135 ± 0.012 Å
• c: 19.118 ± 0.013 Å
• α: 90°
• β: 92.551 ± 0.019°
• γ: 90°
• Cell volume: 2208 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.3265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No