Information card for entry 7158675

Structure parameters

• Formula: C28 H50 N4 O11
• Calculated formula: C28 H50 N4 O11
• 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: 19.615 ± 0.004 Å
• b: 6.752 ± 0.0014 Å
• c: 13.402 ± 0.003 Å
• α: 90°
• β: 114.86 ± 0.03°
• γ: 90°
• Cell volume: 1610.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No