Information card for entry 4105713

Structure parameters

• Formula: C310 H132 N46 O56
• Calculated formula: C310 H132 N46 O56
• SMILES: O=N(=O)c1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)Nc1cccc2c1nc(cc2OCC(C)C)C(=O)NCc1nc(CNC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)N(=O)=O)cc(c1)OCCOc1cc(CNC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)NC(=O)c2cc(OCC(C)C)c3c(n2)c(ccc3)N(=O)=O)nc(CNC(=O)c2nc3c(NC(=O)c4nc5c(NC(=O)c6nc7c(NC(=O)c8nc9c(NC(=O)c%10nc%11c(N(=O)=O)cccc%11c(c%10)OCC(C)C)cccc9c(c8)OCC(C)C)cccc7c(c6)OCC(C)C)cccc5c(c4)OCC(C)C)cccc3c(c2)OCC(C)C)c1.O.c1(ccccc1)C.O.O.O.O.O.c1(ccccc1)C
• Title of publication: Relative Helix-Helix Conformations in Branched Aromatic Oligoamide Foldamers
• Authors of publication: Nicolas Delsuc; Stéphane Massip; Jean-Michel Léger; Brice Kauffmann; Ivan Huc
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3165 - 3172
• a: 47.509 ± 0.01 Å
• b: 29.741 ± 0.006 Å
• c: 33.604 ± 0.007 Å
• α: 90°
• β: 134.96 ± 0.03°
• γ: 90°
• Cell volume: 33598 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2189
• Residual factor for significantly intense reflections: 0.1694
• Weighted residual factors for significantly intense reflections: 0.3886
• Weighted residual factors for all reflections included in the refinement: 0.416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No