Information card for entry 2019995

Structure parameters

• Chemical name: <i>L</i>-Lisinium hydrogen maleate hemihydrate
• Formula: C10 H18 N O6.5
• Calculated formula: C10 H18 N O6.5
• SMILES: OC(=O)[C@@H]([NH3+])[C@@H](C)CC.O=C(O)/C=C\C(=O)[O-].O
• Title of publication: New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline
• Authors of publication: Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• a: 11.5217 ± 0.0009 Å
• b: 5.9974 ± 0.0003 Å
• c: 19.3426 ± 0.0012 Å
• α: 90°
• β: 95.848 ± 0.006°
• γ: 90°
• Cell volume: 1329.62 ± 0.15 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: 0.1134
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes