Information card for entry 4123639

Structure parameters

• Formula: C38 H61 N4 O7.5
• Calculated formula: C38 H61 N4 O7.5
• Title of publication: Heterogeneous h-bonding in a foldamer helix.
• Authors of publication: Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6484 - 6487
• a: 16.5265 ± 0.0005 Å
• b: 17.3446 ± 0.0005 Å
• c: 28.1866 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8079.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No