Information card for entry 2200806

Structure parameters

• Common name: Bis-Tris
• Formula: C8 H19 N O5
• Calculated formula: C8 H19 N O5
• SMILES: N(C(CO)(CO)CO)(CCO)CCO
• Title of publication: [Bis(2-hydroxyethyl)amino]tris(hydroxymethyl)methane (Bis‒Tris), an important complexing agent
• Authors of publication: Nicholson, Kirsten N.; Twamley, Brendan; Wood, Scott
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1133 - o1135
• a: 12.1298 ± 0.0017 Å
• b: 9.5303 ± 0.0013 Å
• c: 17.144 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.9 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.084
• 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