Information card for entry 1519993

Structure parameters

• Chemical name: Pimelic acid & 1,1,3,3-tetramethylbutylamine
• Formula: C15 H31 N O4
• Calculated formula: C15 H31 N O4
• SMILES: C(=O)(CCCCCC(=O)[O-])O.CC(CC(C)(C)[NH3+])(C)C
• Title of publication: 1,1,3,3-Tetramethylbutylammonium pimelate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 508
• a: 11.5504 ± 0.0007 Å
• b: 22.2264 ± 0.001 Å
• c: 6.6309 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1702.31 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No