Information card for entry 7109583

Structure parameters

• Formula: C23.5 H48.5 N7.5 O5 S0.5
• Calculated formula: C23.5 H48.5 N7.5 O5 S0.5
• Title of publication: Influence of achiral units with gem-dimethyl substituents on the helical character of aliphatic oligourea foldamers
• Authors of publication: Juliette Fremaux; Christel Dolain; Brice Kauffmann; Jonathan Clayden; Gilles Guichard
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7415
• a: 9.866 ± 0.002 Å
• b: 10.472 ± 0.002 Å
• c: 16.893 ± 0.003 Å
• α: 96.6 ± 0.03°
• β: 95.35 ± 0.03°
• γ: 113.94 ± 0.03°
• Cell volume: 1565.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.1196
• Weighted residual factors for significantly intense reflections: 0.3192
• Weighted residual factors for all reflections included in the refinement: 0.3634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No