Information card for entry 2103269

Structure parameters

• Chemical name: Piperazine‒racemic tartaric acid (1/2)
• Formula: C12 H22 N2 O12
• Calculated formula: C12 H22 N2 O12
• SMILES: C(=O)(O)[C@@H]([C@H](C(=O)[O-])O)O.[NH2+]1CC[NH2+]CC1.C(=O)([C@H]([C@@H](C(=O)[O-])O)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: 6.5439 ± 0.0003 Å
• b: 15.7915 ± 0.0008 Å
• c: 7.5357 ± 0.0004 Å
• α: 90°
• β: 94.484 ± 0.002°
• γ: 90°
• Cell volume: 776.34 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes