Information card for entry 7158676

Structure parameters

• Formula: C56 H88 N8 O16
• Calculated formula: C56 H80 N8 O16
• Title of publication: Dipeptide self-assembly into water-channels and gel biomaterial
• Authors of publication: Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 22.947 ± 0.003 Å
• b: 22.947 ± 0.003 Å
• c: 5.612 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2955.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No