Information card for entry 2008704

Structure parameters

• Chemical name: L-Norvaline:D-Norleucine
• Formula: C11 H24 N2 O4
• Calculated formula: C11 H24 N2 O4
• SMILES: [O-]C(=O)[C@@H]([NH3+])CCC.[O-]C(=O)[C@H]([NH3+])CCCC
• Title of publication: Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine 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: 7
• Pages of publication: 1105 - 1112
• a: 9.9166 ± 0.0002 Å
• b: 4.7247 ± 0.0001 Å
• c: 15.3292 ± 0.0003 Å
• α: 90°
• β: 102.349 ± 0.001°
• γ: 90°
• Cell volume: 701.6 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0567
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.1161
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No