Information card for entry 2213628

Structure parameters

• Chemical name: 2-(morpholinium-4-yl)ethanesulfonate monohydrate
• Formula: C6 H15 N O5 S
• Calculated formula: C6 H15 N O5 S
• Title of publication: A synchrotron redetermination of 2-(morpholinium-4-yl)ethanesulfonate monohydrate, including a disordered water molecule
• Authors of publication: Kubicki, Maciej; Adamiak, Dorota A.; Rypniewski, Wojciech R.; Olejniczak, Agnieszka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2604 - o2606
• a: 8.609 ± 0.001 Å
• b: 9.959 ± 0.002 Å
• c: 11.144 ± 0.002 Å
• α: 90°
• β: 93.79 ± 0.03°
• γ: 90°
• Cell volume: 953.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.8156 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes