Information card for entry 4020502

Structure parameters

• Formula: C11 H18 O4 S
• Calculated formula: C11 H18 O4 S
• Title of publication: Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate
• Authors of publication: María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7919 - 7924
• a: 12.1189 ± 0.0013 Å
• b: 14.4813 ± 0.0015 Å
• c: 15.04 ± 0.0016 Å
• α: 80.519 ± 0.009°
• β: 78.775 ± 0.009°
• γ: 67.896 ± 0.008°
• Cell volume: 2386.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No