Information card for entry 2230436

Structure parameters

• Chemical name: Bis(tetraethylammonium) bis(hydrogen L-tartrate) L-tartaric acid monohydrate
• Formula: C28 H58 N2 O19
• Calculated formula: C28 H58 N2 O19
• SMILES: [O-]C(=O)[C@@H](O)[C@H](O)C(=O)O.[O-]C(=O)[C@@H](O)[C@H](O)C(=O)O.O=C(O)[C@@H](O)[C@H](O)C(=O)O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O
• Title of publication: Bis(tetraethylammonium) bis(hydrogen <small>L</small>-tartrate) <small>L</small>-tartaric acid monohydrate
• Authors of publication: Rajalakshmi, M.; Indirajith, R.; Gopalakrishnan, R.; Ramamurthi, K.; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1315 - o1316
• a: 7.5725 ± 0.0004 Å
• b: 27.7907 ± 0.0013 Å
• c: 8.762 ± 0.0006 Å
• α: 90°
• β: 99.884 ± 0.005°
• γ: 90°
• Cell volume: 1816.55 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes