Information card for entry 4513357

Structure parameters

• Formula: C14 H33 Cl N2 O3
• Calculated formula: C14 H33 Cl N2 O3
• SMILES: [Cl-].n1(c[n+](cc1)C)CCCCCCCCCC.O.O.O
• Title of publication: Structural Behavior of Long-Chain Imidazolium-Based Ionic Liquid [C10mim]Cl‒Water Mixtures
• Authors of publication: Saouane, Sofiane; Fabbiani, Francesca P. A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3875
• a: 5.3513 ± 0.0005 Å
• b: 7.2152 ± 0.0008 Å
• c: 22.706 ± 0.005 Å
• α: 83.711 ± 0.014°
• β: 89.209 ± 0.013°
• γ: 82.429 ± 0.007°
• Cell volume: 863.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No