Information card for entry 1554847

Structure parameters

• Common name: 6c
• Formula: C26 H39.5 F9 N4.5 O5 P S
• Calculated formula: C26 H39.5 F9 N4.5 O5 P S
• Title of publication: Stable dicationic dioxoliums and fate of their dioxolyl radicals
• Authors of publication: Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3184
• a: 10.7516 ± 0.0004 Å
• b: 12.0558 ± 0.0006 Å
• c: 14.8348 ± 0.0006 Å
• α: 107.62 ± 0.004°
• β: 93.413 ± 0.003°
• γ: 109.731 ± 0.004°
• Cell volume: 1696.8 ± 0.14 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No