Information card for entry 1547893

Structure parameters

• Formula: C41 H72.5 N7 O13.25
• Calculated formula: C41 H61 N7 O13.25
• SMILES: O=C(NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C)[C@@H]([NH3+])Cc1ccccc1.O.O.O.O.O.O
• Title of publication: A minimal length rigid helical peptide motif allows rational design of modular surfactants
• Authors of publication: Sudipta Mondal; Maxim Varenik; Daniel Nir Bloch; Yoav Atsmon-Raz; Guy Jacoby; Lihi Adler-Abramovich; Linda J.W. Shimon; Roy Beck; Yifat Miller; Oren Regev; Ehud Gazit
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 14018
• a: 11.0081 ± 0.001 Å
• b: 11.0439 ± 0.0011 Å
• c: 20.174 ± 0.002 Å
• α: 81.37 ± 0.006°
• β: 78.531 ± 0.005°
• γ: 80.367 ± 0.006°
• Cell volume: 2352.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No