Information card for entry 2103962

Structure parameters

• Common name: DL-arginineComplex
• Formula: C19 H44 N8 O10
• Calculated formula: C19 H44 N8 O10
• SMILES: C(=O)([C@H](CCC[NH+]=C(N)N)[NH3+])[O-].C(=O)([C@H](CCC[NH+]=C(N)N)[NH3+])[O-].C(=O)(CCCCCC(=O)[O-])[O-].O.O
• Title of publication: X-ray studies on crystalline complexes involving amino acids and peptides. XLI. Commonalities in aggregation and conformation revealed by the crystal structures of the pimelic acid complexes of <small>L</small>-arginine and <small>DL</small>-lysine
• Authors of publication: Saraswathi, N. T.; Roy, Siddhartha; Vijayan, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: 641 - 646
• a: 30.278 ± 0.007 Å
• b: 5.1414 ± 0.0012 Å
• c: 19.355 ± 0.005 Å
• α: 90°
• β: 115.776 ± 0.007°
• γ: 90°
• Cell volume: 2713.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes