Information card for entry 4020504

Structure parameters

• Formula: C11 H18 O3 S
• Calculated formula: C11 H18 O3 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: 24.277 ± 0.005 Å
• b: 10.13 ± 0.002 Å
• c: 9.365 ± 0.002 Å
• α: 90°
• β: 105.93 ± 0.03°
• γ: 90°
• Cell volume: 2214.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No