Information card for entry 2102097

Structure parameters

• Common name: L-histidine complexed with maleic acid
• Formula: C10 H13 N3 O6
• Calculated formula: C10 H13 N3 O6
• SMILES: O=C([O-])[C@@H]([NH3+])Cc1c[nH]c[nH+]1.O=C([O-])/C=C\C(=O)O
• Title of publication: X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine
• Authors of publication: J.V. Pratap; R. Ravishankar; M.Vijayan
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 690 - 696
• a: 5.3893 ± 0.0012 Å
• b: 9.3851 ± 0.0013 Å
• c: 12.3681 ± 0.0009 Å
• α: 107.054 ± 0.009°
• β: 98.569 ± 0.012°
• γ: 97.303 ± 0.014°
• Cell volume: 581.65 ± 0.17 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: 0.0527
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No