Information card for entry 2312731

Structure parameters

• Chemical name: (1-Methoxyprop-2-yn-1-ylidene)oxidanium hexafluoroarsenate
• Formula: C4 H5 As F6 O2
• Calculated formula: C4 H5 As F6 O2
• Title of publication: The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.
• Authors of publication: Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 6.9609 ± 0.0005 Å
• b: 8.9319 ± 0.0007 Å
• c: 13.7189 ± 0.0009 Å
• α: 90°
• β: 91.664 ± 0.007°
• γ: 90°
• Cell volume: 852.6 ± 0.11 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No