Information card for entry 2225227

Structure parameters

• Common name: <i>meso</i>-1-{[2-(Propane-1-sulfinyl)ethane]sulfinyl}propane
• Chemical name: <i>meso</i>-1-{[2-(Propyl-1-sulfinyl)ethyl]sulfinyl}propane
• Formula: C8 H18 O2 S2
• Calculated formula: C8 H18 O2 S2
• SMILES: C(CS(=O)CCS(CCC)=O)C
• Title of publication: <i>meso</i>-1-{[2-(Propyl-1-sulfinyl)ethyl]sulfinyl}propane
• Authors of publication: Wardell, Solange M. S. V.; Wardell, James L.; de Lima, Geraldo M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o647 - o648
• a: 11.9794 ± 0.0009 Å
• b: 5.219 ± 0.0003 Å
• c: 8.7618 ± 0.0005 Å
• α: 90°
• β: 97.191 ± 0.005°
• γ: 90°
• Cell volume: 543.48 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes