Information card for entry 4102536

Structure parameters

• Formula: C44.61 H68.61 Cl1.83 N4 O7
• Calculated formula: C44.61 H68.61 Cl1.83 N4 O7
• Title of publication: Helix Formation in Preorganized β/γ-Peptide Foldamers: Hydrogen-Bond Analogy to the α-Helix without α-Amino Acid Residues
• Authors of publication: Li Guo; Aaron M. Almeida; Weicheng Zhang; Andrew G. Reidenbach; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7868 - 7869
• a: 16.5029 ± 0.0004 Å
• b: 20.8999 ± 0.0005 Å
• c: 30.0805 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10375 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No