Information card for entry 2019994

Structure parameters

• Chemical name: <i>L</i>-Leucinium hydrogen maleate
• Formula: C10 H17 N O6
• Calculated formula: C10 H17 N O6
• SMILES: O=C(O)/C=C\C(=O)[O-].O=C(O)[C@@H]([NH3+])CC(C)C
• 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: 21.7231 ± 0.0019 Å
• b: 5.6603 ± 0.0004 Å
• c: 32.075 ± 0.003 Å
• α: 90°
• β: 98.95 ± 0.008°
• γ: 90°
• Cell volume: 3895.9 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2503
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes