Information card for entry 2012874

Structure parameters

• Chemical name: N-(L-2-aminobutyryl)-L-alanine
• Formula: C7 H14 N2 O3
• Calculated formula: C7 H14 N2 O3
• Title of publication: <i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o533 - o536
• a: 17.929 ± 0.0012 Å
• b: 17.929 ± 0.0012 Å
• c: 5.2196 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.8 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes