Information card for entry 7115015

Structure parameters

• Formula: C16 H29 N3 O6
• Calculated formula: C16 H29 N3 O6
• SMILES: C(OC(=O)NCCC(=O)NC(C)(C)C(=O)NCCC(=O)OC)(C)(C)C
• Title of publication: First crystallographic signature of amyloid-like fibril forming β-sheet assemblage from a tripeptide with non-coded amino acids
• Authors of publication: Maji, Samir Kumar; Banerjee, Arindam; Drew, Michael G. B.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1946
• a: 37.25 ± 0.04 Å
• b: 11.123 ± 0.019 Å
• c: 9.61 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3982 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No