Information card for entry 7101186

Structure parameters

• Common name: L-phenylalanyl-L-tryptophane 0.75 hydrate
• Chemical name: L-phenylalanyl-L-tryptophane 0.75 hydrate
• Formula: C20 H22.5 N3 O3.75
• Calculated formula: C20 H22.5 N3 O3.75
• Title of publication: The structure of nanotubes formed by diphenylalanine, the core recognition motif of Alzheimer's beta-amyloid polypeptide
• Authors of publication: C.H.Gorbitz
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 22
• a: 5.6207 ± 0.0006 Å
• b: 35.556 ± 0.004 Å
• c: 35.835 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7161.5 ± 1.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2144
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No