Information card for entry 2311687

Structure parameters

• Chemical name: L-valinium maleate
• Formula: C9 H15 N O6
• Calculated formula: C9 H15 N O6
• SMILES: OC(=O)[C@H](C(C)C)[NH3+].[O-]C(=O)/C=C\C(=O)O
• Title of publication: Structure-forming units of amino acid maleates. Case study of L-valinium hydrogen maleate.
• Authors of publication: Rychkov, Denis; Arkhipov, Sergey; Boldyreva, Elena
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2016
• Journal volume: 72
• Journal issue: Pt 1
• Pages of publication: 160 - 163
• a: 5.7793 ± 0.0008 Å
• b: 7.5974 ± 0.0011 Å
• c: 12.9136 ± 0.0017 Å
• α: 90°
• β: 93.13 ± 0.01°
• γ: 90°
• Cell volume: 566.16 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No