Information card for entry 2005128

Structure parameters

• Common name: TAPSO
• Chemical name: 3-(N-tris(hydroxymethyl) methylamino)-2-hydroxy-propanesulfonic acid
• Formula: C7 H17 N O7 S
• Calculated formula: C7 H17 N O7 S
• SMILES: S(=O)(=O)([O-])CC(O)C[NH2+]C(CO)(CO)CO
• Title of publication: TAPSO at Low Temperature
• Authors of publication: Wouters, J.; Stalke, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1684 - 1686
• a: 6.689 ± 0.006 Å
• b: 8.79 ± 0.009 Å
• c: 9.447 ± 0.008 Å
• α: 95.23 ± 0.09°
• β: 104.88 ± 0.07°
• γ: 92.21 ± 0.06°
• Cell volume: 533.5 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.1001
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No