Information card for entry 4126574

Structure parameters

• Formula: C160 H168 N26 O30
• Calculated formula: C160 H168 N26 O30
• SMILES: N(c1cc(c(Nc2cc(Nc3c(cc(NC(=O)c4nc5c(c(OCC(C)C)c4)cc4c(nc(C(=O)Nc6cc(c(Nc7cc(Nc8c(cc(NC(=O)c9nc%10c(c%11nc(C(=O)Nc%12cc(c(Nc%13cc(Nc%14c(cc(NC(=O)c%15nc%16c(c%17nc(C(=O)OC)cc(OCC(C)C)c%17cc%16c(OCC(C)C)c%15)C)cc%14C)C)c(N(=O)=O)cc%13N(=O)=O)c(c%12)C)C)cc(OCC(C)C)c%11cc%10c(OCC(C)C)c9)C)cc8C)C)c(N(=O)=O)cc7N(=O)=O)c(c6)C)C)cc4OCC(C)C)c5C)cc3C)C)c(N(=O)=O)cc2N(=O)=O)c(c1)C)C)C(=O)c1nc2c(c(OCC(C)C)c1)cc1c(nc(C(=O)OC)cc1OCC(C)C)c2C
• Title of publication: Controlling Dipole Orientation through Curvature: Aromatic Foldamer Bent β-Sheets and Helix-Sheet-Helix Architectures.
• Authors of publication: Lamouroux, Arthur; Sebaoun, Laure; Wicher, Barbara; Kauffmann, Brice; Ferrand, Yann; Maurizot, Victor; Huc, Ivan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.038 ± 0.003 Å
• b: 16.052 ± 0.003 Å
• c: 33.23 ± 0.007 Å
• α: 88.15 ± 0.03°
• β: 88.18 ± 0.03°
• γ: 84.5 ± 0.03°
• Cell volume: 8507 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2416
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No