Information card for entry 4021901

Structure parameters

• Formula: C6 H6 O3 S2
• Calculated formula: C6 H6 O3 S2
• Title of publication: Synthesis of New Cyclic Dialkoxy Disulfides
• Authors of publication: Nicolas Eghbali; D. Scott Bohle; David N. Harpp
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6659 - 6661
• a: 4.811 ± 0.005 Å
• b: 7.525 ± 0.008 Å
• c: 10.678 ± 0.011 Å
• α: 83.007 ± 0.012°
• β: 85.592 ± 0.013°
• γ: 78.525 ± 0.012°
• Cell volume: 375.5 ± 0.7 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No