Information card for entry 2014370

Structure parameters

• Common name: L-lysine complex
• Chemical name: L-lysine hydrogen adipate
• Formula: C12 H24 N2 O6
• Calculated formula: C12 H24 N2 O6
• SMILES: O=C([O-])[C@@H]([NH3+])CCCC[NH3+].[O-]C(=O)CCCCC(=O)O
• Title of publication: X-ray studies of crystalline complexes involving amino acids and peptides. XLIII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-lysine
• Authors of publication: Sharma, Alok; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o148 - o152
• a: 10.532 ± 0.003 Å
• b: 7.2834 ± 0.0017 Å
• c: 10.599 ± 0.003 Å
• α: 90°
• β: 113.352 ± 0.003°
• γ: 90°
• Cell volume: 746.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1345
• 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: Yes