Information card for entry 1554852

Structure parameters

• Formula: C30.33 H52.53 Cl2.12 F6 N3 O2.44 P
• Calculated formula: C30.323 H52.528 Cl2.118 F6 N3 O2.441 P
• 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: 9.5322 ± 0.0004 Å
• b: 18.6061 ± 0.0007 Å
• c: 21.1198 ± 0.0011 Å
• α: 83.275 ± 0.004°
• β: 88.086 ± 0.004°
• γ: 80.993 ± 0.003°
• Cell volume: 3673.7 ± 0.3 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: 0.1554
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.2951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No