Information card for entry 2206203

Structure parameters

• Chemical name: L-threonyl-L-alanine
• Formula: C7 H14 N2 O4
• Calculated formula: C7 H14 N2 O4
• SMILES: O=C(N[C@@H](C)C(=O)[O-])[C@@H]([NH3+])[C@H](O)C
• Title of publication: <small>L</small>-Threonyl-<small>L</small>-alanine
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2012 - o2014
• a: 13.9136 ± 0.0007 Å
• b: 13.9136 ± 0.0007 Å
• c: 4.7065 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 911.12 ± 0.1 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes