Information card for entry 1519980

Structure parameters

• Chemical name: Succinic Acid and 1,1,3,3-tetramethylbutylamine
• Formula: C12 H26 N O4.5
• Calculated formula: C12 H26 N O4.5
• SMILES: C(=O)(CCC(=O)O)[O-].CC(CC(C)(C)[NH3+])(C)C.O
• Title of publication: 1,1,3,3-Tetramethlybutylammonium succinate hemihydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 517
• a: 13.558 ± 0.0005 Å
• b: 9.191 ± 0.0003 Å
• c: 25.277 ± 0.0009 Å
• α: 90°
• β: 105.232 ± 0.002°
• γ: 90°
• Cell volume: 3039.15 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2073
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No