Information card for entry 2102811

Structure parameters

• Chemical name: L-arginine L-tartaric acid complex
• Formula: C16 H34 N8 O10
• Calculated formula: C16 H34 N8 O10
• SMILES: [O-]C(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N.O=C([O-])[C@@H]([NH3+])CCCNC(=[NH2+])N.[O-]C(=O)[C@H](O)[C@@H](O)C(=O)[O-]
• Title of publication: X-ray studies of crystalline complexes involving amino acids and peptides. XLIV. Invariant features of supramolecular association and chiral effects in the complexes of arginine and lysine with tartaric acid
• Authors of publication: Selvaraj, M.; Thamotharan, S.; Roy, Siddhartha; Vijayan, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: 459 - 468
• a: 9.907 ± 0.002 Å
• b: 8.7428 ± 0.0018 Å
• c: 14.076 ± 0.003 Å
• α: 90°
• β: 109.412 ± 0.003°
• γ: 90°
• Cell volume: 1149.9 ± 0.4 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: 0.0358
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No