Information card for entry 2231277

Structure parameters

• Chemical name: Diisopropylammonium methanesulfonate
• Formula: C7 H19 N O3 S
• Calculated formula: C7 H19 N O3 S
• SMILES: S(=O)(=O)([O-])C.[NH2+](C(C)C)C(C)C
• Title of publication: Diisopropylammonium methanesulfonate
• Authors of publication: Reiss, Guido J.; Meyer, Michaela K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2169
• a: 8.88154 ± 0.00013 Å
• b: 8.53537 ± 0.00013 Å
• c: 14.5784 ± 0.0002 Å
• α: 90°
• β: 101.816 ± 0.0015°
• γ: 90°
• Cell volume: 1081.73 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes