Information card for entry 7110628

Structure parameters

• Formula: C15 H16 O5 S4
• Calculated formula: C15 H16 O5 S4
• Title of publication: New reactions of cyclic sulfoxides under Pummerer conditions
• Authors of publication: Alan Aitken, R.; Hill, Lawrence; Lightfoot, Philip; Wilson, Neil J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 1673
• a: 9.321 ± 0.008 Å
• b: 15.481 ± 0.005 Å
• c: 12.756 ± 0.007 Å
• α: 90°
• β: 105.06 ± 0.05°
• γ: 90°
• Cell volume: 1777.5 ± 1.9 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for significantly intense reflections: 7.302
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No