Information card for entry 8105369

Structure parameters

• Common name: 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate
• Formula: C9 H13 F6 N2 O2 P
• Calculated formula: C9 H13 F6 N2 O2 P
• SMILES: c1n(cc[n+]1C=C)CC(=O)OCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-vinyl-1H-imidazol-3-ium hexafluoridophosphate(V), C9H13F6N2O2P
• Authors of publication: Xiong, Wan-Ming; Huang, Ting; Liao, Sheng; Chen, Jing; Nie, Xu-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1029 - 1031
• a: 6.5994 ± 0.0013 Å
• b: 10.754 ± 0.002 Å
• c: 19.754 ± 0.004 Å
• α: 90°
• β: 96.267 ± 0.002°
• γ: 90°
• Cell volume: 1393.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No