Information card for entry 2006075

Structure parameters

• Common name: TRIS
• Chemical name: Tris(2-hydroxymethyl)aminomethane
• Formula: C4 H11 N O3
• Calculated formula: C4 H11 N O3
• SMILES: C(N)(CO)(CO)CO
• Title of publication: Anti-Inflammatory Drugs. V. [Tris-(2-hydroxymethyl)methyl]ammonium 2-[(2,6-Dichlorophenyl)amino]phenylacetate (TRISH. D)
• Authors of publication: Castellari, C.; Ottani, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 482 - 486
• a: 8.8435 ± 0.001 Å
• b: 8.7911 ± 0.001 Å
• c: 7.7906 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 605.67 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.0837
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No