Information card for entry 1548234

Structure parameters

• Formula: C36 H60 N7 O15.7
• Calculated formula: C36 H60 N7 O15.7
• SMILES: OC[C@H]([NH3+])C(=O)NC(C)(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C(=O)[O-])C.O.O.O.O.O.O
• Title of publication: Formation of functional super-helical assemblies by constrained single heptad repeat
• Authors of publication: Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 8615
• a: 8.9071 ± 0.0002 Å
• b: 39.9588 ± 0.001 Å
• c: 13.1061 ± 0.0004 Å
• α: 90°
• β: 109.226 ± 0.001°
• γ: 90°
• Cell volume: 4404.5 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No