Information card for entry 1519982

Structure parameters

• Chemical name: maleic acid and 1,1,3,3-tetramethylbutylamine
• Formula: C13 H25 N O4
• Calculated formula: C13 H25 N O4
• SMILES: C(=O)(/C=C\C(=O)OC)[O-].CC(CC(C)(C)[NH3+])(C)C
• Title of publication: 1,1,3,3-Tetramethylbutylammonium methylmaleate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 519
• a: 6.6154 ± 0.0015 Å
• b: 30.477 ± 0.007 Å
• c: 15.282 ± 0.003 Å
• α: 90°
• β: 90.924 ± 0.002°
• γ: 90°
• Cell volume: 3080.7 ± 1.2 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: 0.1103
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.6905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No