Information card for entry 7223850

Structure parameters

• Formula: C8 H18 Cl N O
• Calculated formula: C8 H18 Cl N O
• SMILES: [Cl-].[N+]12(CCCC1)CCCC2.O
• Title of publication: Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts
• Authors of publication: Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P.
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2016
• a: 12.5408 ± 0.0003 Å
• b: 11.0072 ± 0.0003 Å
• c: 14.1345 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1951.11 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No