Information card for entry 4111918

Structure parameters

• Formula: C120 H131 N17 O20
• Calculated formula: C120 H127 N17 O20
• SMILES: C1CC(CCC1)[C@@H](C)NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2NC(=O)c1nc2c(c(c1)OCC(C)C)cccc2N(=O)=O.O.O
• Title of publication: Chiral Induction in Quinoline-Derived Oligoamide Foldamers: Assignment of Helical Handedness and Role of Steric Effects
• Authors of publication: Christel Dolain; Hua Jiang; Jean-Michel Léger; Philippe Guionneau; Ivan Huc
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 12943 - 12951
• a: 17.353 ± 0.001 Å
• b: 18.956 ± 0.001 Å
• c: 19.884 ± 0.001 Å
• α: 99.42°
• β: 100.11 ± 0.01°
• γ: 93.68°
• Cell volume: 6323.2 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1506
• Residual factor for significantly intense reflections: 0.1398
• Weighted residual factors for significantly intense reflections: 0.3659
• Weighted residual factors for all reflections included in the refinement: 0.3802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No