Information card for entry 7239226

Structure parameters

• Formula: C14 H28 S4
• Calculated formula: C14 H28 S4
• Title of publication: Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives
• Authors of publication: Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 44
• Pages of publication: 21911
• a: 6.0477 ± 0.0007 Å
• b: 15.1049 ± 0.0018 Å
• c: 9.4034 ± 0.0011 Å
• α: 90°
• β: 93.9707 ± 0.0016°
• γ: 90°
• Cell volume: 856.94 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No