Information card for entry 4517735

Structure parameters

• Formula: C30 H26 N2 O2
• Calculated formula: C30 H26 N2 O2
• SMILES: O=C1N[C@H](C(=O)N[C@H]1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• 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: 6.19 ± 0.0012 Å
• b: 11.1 ± 0.002 Å
• c: 33.82 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2323.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No