Information card for entry 1505092

Structure parameters

• Formula: C9 H17 I N2 O2
• Calculated formula: C9 H17 I N2 O2
• SMILES: COCCOCCn1cc[n+](c1)C.[I-]
• 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: 9.7948 ± 0.0013 Å
• b: 13.0859 ± 0.0012 Å
• c: 9.9372 ± 0.0014 Å
• α: 90°
• β: 103.711 ± 0.012°
• γ: 90°
• Cell volume: 1237.4 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No