Information card for entry 4107928

Structure parameters

• Formula: C25 H45 N5 O5
• Calculated formula: C25 H45 N5 O5
• Title of publication: Diacid Linkers That Promote Parallel β-Sheet Secondary Structure in Water
• Authors of publication: Felix Freire; John D. Fisk; Aaron J. Peoples; Monika Ivancic; Ilia A. Guzei; Samuel H. Gellman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7839 - 7841
• a: 21.498 ± 0.003 Å
• b: 21.498 ± 0.003 Å
• c: 10.836 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4337.1 ± 1.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No