Information card for entry 1505090

Structure parameters

• Formula: C8 H15 I N2 O2
• Calculated formula: C8 H15 I N2 O2
• SMILES: [I-].O(C[n+]1cn(C)cc1)CCOC
• Title of publication: Revisiting ether-derivatized imidazolium-based ionic liquids.
• Authors of publication: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 34
• Pages of publication: 10095 - 10108
• a: 9.5223 ± 0.0005 Å
• b: 8.0828 ± 0.0004 Å
• c: 15.406 ± 0.0012 Å
• α: 90°
• β: 106.029 ± 0.005°
• γ: 90°
• Cell volume: 1139.65 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0164
• Residual factor for significantly intense reflections: 0.0134
• Weighted residual factors for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.0285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No