Information card for entry 7214289

Structure parameters

• Formula: C8 H13 F6 N2 O2 P
• Calculated formula: C8 H13 F6 N2 O2 P
• SMILES: OC(=O)CCC[n+]1ccn(C)c1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Hydrogen bonds in the crystal structure of hydrophobic and hydrophilic COOH-functionalized imidazolium ionic liquids
• Authors of publication: Xuan, Xiao-Peng; Chang, Liang-Liang; Zhang, Heng; Wang, Na; Zhao, Yang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3040
• a: 8.264 ± 0.005 Å
• b: 15.703 ± 0.01 Å
• c: 21.517 ± 0.011 Å
• α: 90°
• β: 111.29 ± 0.019°
• γ: 90°
• Cell volume: 2602 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2021
• Residual factor for significantly intense reflections: 0.1652
• Weighted residual factors for significantly intense reflections: 0.3331
• Weighted residual factors for all reflections included in the refinement: 0.3456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No