Information card for entry 7102804

Structure parameters

• Common name: BEDT-TTF-S-oxide, rac
• Formula: C10 H8 O S8
• Calculated formula: C10 H8 O S8
• Title of publication: Chemo- and enantioselective sulfoxidation of bis(ethylenedithio)-tetrathiafulvalene (BEDT-TTF) into chiral BEDT-TTF-sulfoxide
• Authors of publication: Chas, Marcos; Lemarié, Margareth; Gulea, Mihaela; Avarvari, Narcis
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 220 - 222
• a: 6.581 ± 0.003 Å
• b: 28.674 ± 0.002 Å
• c: 8.284 ± 0.004 Å
• α: 90°
• β: 106.91 ± 0.03°
• γ: 90°
• Cell volume: 1495.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1239
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No