Information card for entry 4517738

Structure parameters

• Formula: C60 H61 N4 O11
• Calculated formula: C60 H61 N4 O11
• Title of publication: Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.
• Authors of publication: Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud
• Journal of publication: ACS nano
• Year of publication: 2020
• a: 12.2006 ± 0.0003 Å
• b: 34.6872 ± 0.0006 Å
• c: 13.1696 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5573.44 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No