Information card for entry 2312522

Structure parameters

• Common name: Methylene bis(triflate)
• Chemical name: Methanediyl bis(trifluoromethanesulfonate)
• Formula: C3 H2 F6 O6 S2
• Calculated formula: C3 H2 F6 O6 S2
• Title of publication: Crystal structure elucidation of a geminal and vicinal bis(trifluoromethanesulfonate) ester.
• Authors of publication: Pickl, Thomas; Zuber, Julian; Stephan, Johannes; Pöthig, Alexander
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 278 - 283
• a: 8.9822 ± 0.0012 Å
• b: 4.9413 ± 0.0006 Å
• c: 10.94 ± 0.0014 Å
• α: 90°
• β: 102.406 ± 0.005°
• γ: 90°
• Cell volume: 474.22 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No