Information card for entry 4123641

Structure parameters

• Formula: C52.11 H71.78 Cl2.44 N4 O7
• Calculated formula: C52.1034 H71.7585 Cl2.4483 N4 O7
• 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: 11.5447 ± 0.0004 Å
• b: 14.2478 ± 0.0005 Å
• c: 17.4006 ± 0.0006 Å
• α: 96.227 ± 0.002°
• β: 108.46 ± 0.0018°
• γ: 105.904 ± 0.0018°
• Cell volume: 2550.47 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No