Information card for entry 2009573

Structure parameters

• Formula: C18 H32 N2 O6
• Calculated formula: C18 H32 N2 O6
• Title of publication: Structures of the choline ion in different crystal surroundings
• Authors of publication: Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 617 - 623
• a: 7.951 ± 0.002 Å
• b: 10.6133 ± 0.0009 Å
• c: 23.421 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1976.4 ± 0.6 ų
• Cell temperature: 105 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No