Information card for entry 2103745

Structure parameters

• Common name: L-Arginine-Glutaricacid-complex
• Formula: C17 H40 N8 O10
• Calculated formula: C17 H40 N8 O10
• SMILES: [NH3+][C@H](C(=O)[O-])CCCNC(=[NH2+])N.O.C(=O)(CCCC(=O)[O-])[O-].C(=O)([C@H](CCCNC(=[NH2+])N)[NH3+])[O-].O
• Title of publication: X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes
• Authors of publication: Saraswathi, N. T.; Vijayan, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 842 - 849
• a: 19.008 ± 0.003 Å
• b: 5.073 ± 0.002 Å
• c: 13.6723 ± 0.0019 Å
• α: 90°
• β: 101.109 ± 0.013°
• γ: 90°
• Cell volume: 1293.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes