Information card for entry 4110545

Structure parameters

• Formula: C47.93 H73.01 Cl5.79 N7 O10.04
• Calculated formula: C47.9286 H72.9286 Cl5.78571 N7 O10.0429
• Title of publication: New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns
• Authors of publication: Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4538 - 4539
• a: 15.5904 ± 0.0009 Å
• b: 23.5849 ± 0.0014 Å
• c: 28.7199 ± 0.0017 Å
• α: 101.915 ± 0.0009°
• β: 93.0456 ± 0.0008°
• γ: 103.457 ± 0.0008°
• Cell volume: 9992 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No