Information card for entry 1519972

Structure parameters

• Chemical name: Tetrabutylammonium di(DL-tartrate) dihydrate
• Formula: C24 H51 N O14
• Calculated formula: C24 H51 N O14
• SMILES: O[C@@H](C(=O)O)[C@@H](O)C(=O)[O-].O.O[C@H](C(=O)O)[C@H](O)C(=O)O.O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Tetrabutylammonium di(DL-tartrate) dihydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 576
• a: 9.3454 ± 0.0019 Å
• b: 9.3736 ± 0.0019 Å
• c: 17.624 ± 0.004 Å
• α: 78.41 ± 0.03°
• β: 78.45 ± 0.03°
• γ: 89.86 ± 0.03°
• Cell volume: 1480.6 ± 0.6 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: 0.2391
• Residual factor for significantly intense reflections: 0.1106
• Weighted residual factors for significantly intense reflections: 0.2479
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No