Information card for entry 2000003

Structure parameters

• Formula: C15 H18 O S
• Calculated formula: C15 H18 O S
• Title of publication: Room-temperature structure of α‒β ethylenic sulfoxide C~15~H~18~OS: (-)-4,5-dimethyl-1-p-tolylsulfinyl-1,4-cyclohexadiene
• Authors of publication: Maignan, C.; Leblanc, M.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1990
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 915 - 917
• a: 6.263 ± 0.002 Å
• b: 7.965 ± 0.002 Å
• c: 26.51 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.45 ų
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.048
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No