Information card for entry 4110156

Structure parameters

• Formula: C51 H78 N8 O11
• Calculated formula: C51 H78 N8 O11
• Title of publication: Crystallographic Characterization of the α/β-Peptide 14/15-Helix
• Authors of publication: Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13780 - 13781
• a: 27.761 ± 0.004 Å
• b: 18.604 ± 0.003 Å
• c: 10.2474 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5292.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No