Information card for entry 2103452

Structure parameters

• Chemical name: L-Ala-L-Val acetonitrile solvate
• Formula: C8.7 H17.05 N2.35 O3
• Calculated formula: C8.827 H16 N2.376 O3
• 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: 14.1635 ± 0.0008 Å
• b: 14.1635 ± 0.0008 Å
• c: 9.8702 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1714.74 ± 0.16 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: 0.0431
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes