Information card for entry 4020682

Structure parameters

• Formula: C31 H27 B2 F8 N S4
• Calculated formula: C31 H27 B2 F8 N S4
• Title of publication: Adducts of Thianthrene- and Phenoxathiin Cation Radical Tetrafluoroborates to 1-Alkynes. Structures and Formation of 1-(5-Thianthreniumyl)- and 1-(10-Phenoxathiiniumyl)alkynes on Alumina Leading to α-Ketoylides and α-Ketols
• Authors of publication: Paramashivappa Rangappa; Henry J. Shine; John N. Marx; Teyeb Ould-Ely; Anna T. Kelly; Kenton H. Whitmire
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9764 - 9770
• a: 11.4982 ± 0.0013 Å
• b: 12.4392 ± 0.0015 Å
• c: 23.139 ± 0.003 Å
• α: 90°
• β: 99.488 ± 0.002°
• γ: 90°
• Cell volume: 3264.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No