Information card for entry 2103747

Structure parameters

• Common name: L Histidine complex with glutaric acid
• Formula: C34 H52 N12 O16
• Calculated formula: C17 H26 N6 O8
• SMILES: [NH3+][C@H](C(=O)[O-])Cc1[nH]c[nH+]c1.[NH3+][C@H](C(=O)[O-])Cc1[nH]cnc1.O=C([O-])CCCC(=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: 5.791 ± 0.001 Å
• b: 13.11 ± 0.003 Å
• c: 14.36 ± 0.003 Å
• α: 110.46 ± 0.02°
• β: 89.78 ± 0.01°
• γ: 95.62 ± 0.02°
• Cell volume: 1016 ± 0.4 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: 0.0432
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes