Information card for entry 7239013

Structure parameters

• Formula: C13 H28 N2 O3
• Calculated formula: C13 H28 N2 O3
• Title of publication: Hydrophobic vs. hydrophilic ionic liquid separations strategies in support of continuous pharmaceutical manufacturing
• Authors of publication: Wang, Hui; Gurau, Gabriela; Kelley, Steven P.; Myerson, Allan S.; Rogers, Robin D.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 25
• Pages of publication: 10019
• a: 12.2603 ± 0.001 Å
• b: 12.7294 ± 0.0011 Å
• c: 10.9082 ± 0.0009 Å
• α: 90°
• β: 110.413 ± 0.006°
• γ: 90°
• Cell volume: 1595.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1278
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No