Information card for entry 1519981

Structure parameters

• Chemical name: Methylmalonic acid and 1,1,3,3-tetramethylbutylamine
• Formula: C11 H23 N O4
• Calculated formula: C11 H23 N O4
• SMILES: C(=O)(C(=O)OC)[O-].CC(CC(C)(C)[NH3+])(C)C
• Title of publication: 1,1,3,3-Tetramethylbutylammonium methyloxalate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 518
• a: 11.189 ± 0.007 Å
• b: 11.208 ± 0.006 Å
• c: 21.906 ± 0.013 Å
• α: 84.512 ± 0.007°
• β: 85.814 ± 0.007°
• γ: 89.942 ± 0.007°
• Cell volume: 2727 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.2717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.6905 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No