Information card for entry 7212711

Structure parameters

• Common name: L-aminobutyric acid:D-norleucine
• Chemical name: S-2-aminobutanoic acid : R-2-aminohexanoic acid (1:1)
• Formula: C10 H22 N2 O4
• Calculated formula: C10 H22 N2 O4
• Title of publication: Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.
• Authors of publication: Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 30
• Pages of publication: 8466 - 8477
• a: 5.1725 ± 0.0003 Å
• b: 5.3955 ± 0.0003 Å
• c: 12.3952 ± 0.0007 Å
• α: 92.631 ± 0.002°
• β: 94.747 ± 0.002°
• γ: 113.103 ± 0.002°
• Cell volume: 315.93 ± 0.03 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: 0.0759
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No