Information card for entry 4023846

Structure parameters

• Formula: C27 H40 N6 O7.5
• Calculated formula: C27 H40 N6 O7.5
• Title of publication: Molecular Structure and Magnetic Properties of 1-Ethyl-2-(1-oxy-3-oxo-4,4,5,5-tetramethylimidazolin-2-yl)- 3-methylimidazolium Arylcarboxylates and Other Salts
• Authors of publication: Hiroyuki Hayashi; Satoru Karasawa; Noboru Koga
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8683 - 8693
• a: 6.1258 ± 0.0003 Å
• b: 35.4226 ± 0.0017 Å
• c: 13.6162 ± 0.0007 Å
• α: 90°
• β: 95.816 ± 0.0019°
• γ: 90°
• Cell volume: 2939.4 ± 0.3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No