Information card for entry 1546070

Structure parameters

• Formula: C31 H46 N6 O8
• Calculated formula: C31 H46 N6 O8
• SMILES: O=C(NC1CCC(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)(C)C)(C)C)CC1)CN1C(=O)NC(=O)C(=C1)C.OCC
• Title of publication: Tuning morphological architectures generated through living supramolecular assembly of a helical foldamer end-capped with two complementary nucleobases.
• Authors of publication: Marafon, Giulia; Menegazzo, Ileana; De Zotti, Marta; Crisma, Marco; Toniolo, Claudio; Moretto, Alessandro
• Journal of publication: Soft matter
• Year of publication: 2017
• a: 10.7942 ± 0.0005 Å
• b: 18.8139 ± 0.0006 Å
• c: 16.8871 ± 0.0008 Å
• α: 90°
• β: 98.486 ± 0.004°
• γ: 90°
• Cell volume: 3391.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No