Information card for entry 4024105

Structure parameters

• Formula: C16 H15 F6 O P S
• Calculated formula: C16 H15 F6 O P S
• Title of publication: Addition of the Phenoxathiin Cation Radical to Alkenes and Nonconjugated Dienes. Formation of (E)- and (Z)-(10-Phenoxathiiniumyl)alkenes and (E)- and (Z)-(10-Phenoxathiiniumyl)dienes on Basic Alumina
• Authors of publication: Bing-Jun Zhao; Henry J. Shine; John N. Marx; Cristina Hofmann; Kenton H. Whitmire
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 6154 - 6161
• a: 8.5232 ± 0.0017 Å
• b: 9.801 ± 0.002 Å
• c: 11.406 ± 0.002 Å
• α: 104.63 ± 0.003°
• β: 90.817 ± 0.003°
• γ: 106.22 ± 0.003°
• Cell volume: 881.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No