Information card for entry 2100162

Structure parameters

• Common name: L-arginine complex
• Formula: C18 H38 N8 O8
• Calculated formula: C18 H38 N8 O8
• SMILES: [NH3+][C@H](C(=O)[O-])CCCNC(=[NH2+])N.[NH3+][C@H](C(=O)[O-])CCCNC(=[NH2+])N.O=C([O-])CCCCC(=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: 12.494 ± 0.004 Å
• b: 5.951 ± 0.0017 Å
• c: 16.719 ± 0.005 Å
• α: 90°
• β: 105.977 ± 0.005°
• γ: 90°
• Cell volume: 1195.1 ± 0.6 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: 0.0428
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No