Information card for entry 1546069

Structure parameters

• Formula: C24 H47 N11 O13
• Calculated formula: C24 H43.6 N11 O13
• SMILES: O=C(NC(C(=O)NC(C)(C)C(=O)NCCNC(=O)Cn1c2ncnc(N)c2nc1)(C)C)CN1C(=O)NC(=O)C(=C1)C.O.O.O.O.O.O.O
• 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: 9.11756 ± 0.0001 Å
• b: 21.6446 ± 0.0002 Å
• c: 17.9917 ± 0.0002 Å
• α: 90°
• β: 98.128 ± 0.001°
• γ: 90°
• Cell volume: 3514.92 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No