Information card for entry 2105595

Structure parameters

• Common name: L-Arginine semi-oxalate
• Formula: C8 H16 N4 O6
• Calculated formula: C8 H16 N4 O6
• SMILES: [NH3+][C@H](C(=O)[O-])CCCNC(=[NH2+])N.O=C(O)C(=O)[O-]
• Title of publication: X-ray Studies on Crystalline Complexes Involving Amino Acids and Peptides. XXXIII. Crystal Structures of <small>L</small>- and <small>DL</small>-Arginine Complexed with Oxalic Acid and a Comparative Study of Amino Acid‒Oxalic Acid Complexes
• Authors of publication: Chandra, N. R.; Prabu, M. M.; Venkatraman, J.; Suresh, S.; Vijayan, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 257 - 263
• a: 5.0668 ± 0.0014 Å
• b: 9.7572 ± 0.0013 Å
• c: 13.141 ± 0.003 Å
• α: 111.11 ± 0.02°
• β: 92.75 ± 0.02°
• γ: 91.97 ± 0.03°
• Cell volume: 604.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.0896
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.025
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No