Information card for entry 2103268

Structure parameters

• Chemical name: Piperazine‒(2R,3R)-tartaric acid (1/1)
• Formula: C8 H16 N2 O6
• Calculated formula: C8 H16 N2 O6
• SMILES: [NH2+]1CC[NH2+]CC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-]
• Title of publication: Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines
• Authors of publication: Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 272 - 288
• a: 6.4043 ± 0.0003 Å
• b: 9.086 ± 0.0005 Å
• c: 9.3734 ± 0.0004 Å
• α: 90°
• β: 109.006 ± 0.003°
• γ: 90°
• Cell volume: 515.7 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes