Information card for entry 2242243

Structure parameters

• Chemical name: (<i>S</i>)-<i>sec</i>-Butylammonium <i>L</i>-tartrate monohydrate
• Formula: C8 H19 N O7
• Calculated formula: C8 H19 N O7
• Title of publication: Crystal structure of (<i>S</i>)-<i>sec</i>-butylammonium <small>L</small>-tartrate monohydrate
• Authors of publication: Publicover, Ernlie A.; Kolwich, Jennifer; Stack, Darcie L.; Doué, Alyssa J.; Ylijoki, Kai E. O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 716 - 719
• a: 11.0921 ± 0.001 Å
• b: 14.8876 ± 0.0014 Å
• c: 7.207 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1190.13 ± 0.19 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125.12 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes