Information card for entry 4507671

Structure parameters

• Formula: C16 H30 N2 O10
• Calculated formula: C16 H30 N2 O10
• SMILES: O1CC[NH2+]CC1.O1CC[NH2+]CC1.[O-]C(=O)CCC(=O)[O-].OC(=O)CCC(=O)O
• Title of publication: Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior
• Authors of publication: Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 965
• a: 14.253 ± 0.016 Å
• b: 17.64 ± 0.02 Å
• c: 18.279 ± 0.017 Å
• α: 90°
• β: 120.75 ± 0.07°
• γ: 90°
• Cell volume: 3950 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1677
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No