Information card for entry 4110157

Structure parameters

• Formula: C56 H90 N9 O13.5
• Calculated formula: C56 H90 N9 O13.5
• 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: 14.7772 ± 0.0007 Å
• b: 14.7772 ± 0.0007 Å
• c: 56.444 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12325.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No