Information card for entry 4504914

Structure parameters

• Common name: 2-amino-5-picolinium adipate adipic acid 2:1:1
• Chemical name: 2-amino-5-picolinium adipate adipic acid 2:1:1
• Formula: C24 H36 N4 O8
• Calculated formula: C24 H36 N4 O8
• SMILES: c1[nH+]c(ccc1C)N.C(=O)(CCCCC(=O)O)O.[O-]C(=O)CCCCC(=O)[O-].c1(ccc(c[nH+]1)C)N
• Title of publication: The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals
• Authors of publication: Bis, Joanna A.; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1169
• a: 5.07 ± 0.0007 Å
• b: 7.2081 ± 0.001 Å
• c: 18.388 ± 0.003 Å
• α: 88.468 ± 0.002°
• β: 85.015 ± 0.002°
• γ: 72.373 ± 0.002°
• Cell volume: 638.02 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No