Information card for entry 7157118

Structure parameters

• Formula: C43 H66 N4 O7
• Calculated formula: C43 H66 N4 O7
• Title of publication: Impact of substituent effects on the design of β-sheet mimetics and β-double helices from (E)-vinylogous γ-amino acid oligomers.
• Authors of publication: Veeresh, Kuruva; Singh, Manjeet; Gopi, Hosahudya N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 41
• Pages of publication: 9226 - 9231
• a: 15.784 ± 0.004 Å
• b: 15.892 ± 0.004 Å
• c: 21.646 ± 0.005 Å
• α: 72.44 ± 0.006°
• β: 76.389 ± 0.006°
• γ: 61.814 ± 0.006°
• Cell volume: 4534.9 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2689
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No