Information card for entry 1519967

Structure parameters

• Chemical name: Diethylammonium DL-tartrate
• Formula: C8 H17 N O6
• Calculated formula: C8 H17 N O6
• SMILES: C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.CC[NH2+]CC.C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.CC[NH2+]CC
• Title of publication: Diethylammonium DL-tartrate
• 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: 588
• a: 8.1431 ± 0.0013 Å
• b: 9.4941 ± 0.0019 Å
• c: 14.362 ± 0.003 Å
• α: 90°
• β: 94.415 ± 0.015°
• γ: 90°
• Cell volume: 1107.1 ± 0.4 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: 0.0678
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No