Information card for entry 2105594

Structure parameters

• Common name: DL-Arginine semi-oxalate
• Formula: C8 H16 N4 O6
• Calculated formula: C8 H16 N4 O6
• SMILES: [NH3+]C(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: 5.1107 ± 0.0012 Å
• b: 23.937 ± 0.003 Å
• c: 10.947 ± 0.002 Å
• α: 90°
• β: 116.91 ± 0.02°
• γ: 90°
• Cell volume: 1194.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1442
• Weighted residual factors for significantly intense reflections: 0.1329
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No