Information card for entry 2014369

Structure parameters

• Common name: DL-lysine complex
• Chemical name: bis(DL-lysinium) adipate
• Formula: C18 H38 N4 O8
• Calculated formula: C18 H38 N4 O8
• SMILES: C(=O)([O-])C(CCCC[NH3+])[NH3+].C(=O)([O-])CCCCC(=O)[O-].C(=O)(C(CCCC[NH3+])[NH3+])[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: 5.473 ± 0.0015 Å
• b: 7.773 ± 0.002 Å
• c: 13.011 ± 0.004 Å
• α: 100.112 ± 0.004°
• β: 93.292 ± 0.004°
• γ: 100.744 ± 0.004°
• Cell volume: 533 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes