Information card for entry 2103746

Structure parameters

• Common name: L-histidine complexed with glutaric acid
• Formula: C44 H76 N12 O28
• Calculated formula: C11 H19 N3 O7
• SMILES: [O-]C(=O)[C@@H]([NH3+])Cc1[nH]c[nH+]c1.O=C([O-])CCCC(=O)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: 8.335 ± 0.001 Å
• b: 8.856 ± 0.001 Å
• c: 19.522 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1441 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes