Information card for entry 2100161

Structure parameters

• Common name: DL-arginine complex
• Formula: C18 H42 N8 O10
• Calculated formula: C18 H42 N8 O10
• SMILES: C(=O)(C(CCC[NH+]=C(N)N)[NH3+])[O-].C(=O)([O-])CCCCC(=O)[O-].O.C(=O)(C(CCC[NH+]=C(N)N)[NH3+])[O-].O
• Title of publication: X-ray studies on crystalline complexes involving amino acids and peptides. XLII. Adipic acid complexes of <small>L</small>- and <small>DL</small>-arginine and supramolecular association in arginine‒dicarboxylic acid complexes
• Authors of publication: Vijayan, M
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: 89 - 95
• a: 13.825 ± 0.004 Å
• b: 5.0531 ± 0.0016 Å
• c: 18.804 ± 0.006 Å
• α: 90°
• β: 102.9 ± 0.006°
• γ: 90°
• Cell volume: 1280.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No