Information card for entry 2202540

Structure parameters

• Chemical name: Morpholinium dihydrogen citrate dihydrate
• Formula: C10 H19 N O9
• Calculated formula: C10 H19 N O9
• SMILES: [O-]C(=O)CC(O)(CC(=O)O)C(=O)O.O1CC[NH2+]CC1.O
• Title of publication: Morpholinium dihydrogen citrate hydrate
• Authors of publication: Chen, Can-Yu; Wei, Zan-Bin; Zhou, Zhao-Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1030 - o1032
• a: 11.3774 ± 0.0006 Å
• b: 12.4823 ± 0.0007 Å
• c: 18.437 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2618.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.061
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes