Information card for entry 2008943

Structure parameters

• Chemical name: L-Leucine:D-2-aminopentanoic acid
• Formula: C11 H24 N2 O4
• Calculated formula: C11 H24 N2 O4
• SMILES: O=C([O-])[C@@H]([NH3+])CC(C)C.[O-]C(=O)[C@H]([NH3+])CCC
• Title of publication: Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series
• Authors of publication: Dalhus, Bjørn; Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1547 - 1555
• a: 5.1639 ± 0.0001 Å
• b: 5.4076 ± 0.0001 Å
• c: 13.1241 ± 0.0002 Å
• α: 91.779 ± 0.001°
• β: 98.138 ± 0.001°
• γ: 111.823 ± 0.001°
• Cell volume: 335.393 ± 0.011 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No