Information card for entry 4504389

Structure parameters

• Common name: (H4TETA)(suc)
• Formula: C14 H30 N4 O8
• Calculated formula: C14 H30 N4 O8
• SMILES: C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].C(=O)([O-])CCC(=O)[O-].C(=O)(CCC(=O)[O-])[O-]
• Title of publication: Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies†
• Authors of publication: Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1844
• a: 14.0595 ± 0.0002 Å
• b: 9.1692 ± 0.0001 Å
• c: 13.6466 ± 0.0002 Å
• α: 90°
• β: 92.47 ± 0.001°
• γ: 90°
• Cell volume: 1757.61 ± 0.04 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No