Information card for entry 2008705

Structure parameters

• Chemical name: L-Methionine:D-Norleucine
• Formula: C11 H24 N2 O4 S
• Calculated formula: C11 H24 N2 O4 S
• SMILES: S(CC[C@H]([NH3+])C(=O)[O-])C.[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: 9.8756 ± 0.0002 Å
• b: 4.7029 ± 0.0001 Å
• c: 16.4192 ± 0.0003 Å
• α: 90°
• β: 107.328 ± 0.0007°
• γ: 90°
• Cell volume: 727.96 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.0682
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No