Information card for entry 4123644

Structure parameters

• Formula: C70 H97 Cl3 N6 O10
• Calculated formula: C70.006 H97.007 Cl3 N6 O10
• 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: 22.772 ± 0.003 Å
• b: 14.5752 ± 0.0011 Å
• c: 25.663 ± 0.003 Å
• α: 90°
• β: 103.502 ± 0.013°
• γ: 90°
• Cell volume: 8282.3 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No