Information card for entry 2103453

Structure parameters

• Chemical name: L-Ala-L-Val
• Formula: C8 H16 N2 O3
• Calculated formula: C8 H16 N2 O3
• SMILES: O=C(N[C@@H](C(C)C)C(=O)[O-])[C@@H]([NH3+])C
• Title of publication: An exceptionally stable peptide nanotube system with flexible pores
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: 849 - 854
• a: 14.2957 ± 0.0003 Å
• b: 14.2957 ± 0.0003 Å
• c: 9.9077 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1753.53 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes