Information card for entry 4515205

Structure parameters

• Formula: C46 H68 F6 N7 O13
• Calculated formula: C46 H68 F6 N7 O13
• SMILES: O=C(NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])Cc1ccccc1)CC(C)C)(C)C)CCC(=O)[O-])CC(C)C)(C)C)[C@@H]([NH3+])Cc1ccccc1.FC(F)(F)C(O)C(F)(F)F.O.O
• Title of publication: Functional Coiled-Coil like Assembly by Knob-into-Hole Packing of Single Heptad Repeat.
• Authors of publication: Mondal, Sudipta; Basavalingapp, Vasantha; Jacoby, Guy; Shimon, Linda J. W.; Beck, Roy; Gazit, Ehud
• Journal of publication: ACS nano
• Year of publication: 2019
• a: 10.72692 ± 0.00012 Å
• b: 12.7876 ± 0.00014 Å
• c: 39.6389 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5437.33 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No