Information card for entry 7157117

Structure parameters

• Formula: C38 H64 N4 O7
• Calculated formula: C38 H64 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: 10.0311 ± 0.0019 Å
• b: 13.762 ± 0.003 Å
• c: 14.965 ± 0.003 Å
• α: 92.146 ± 0.005°
• β: 95.34 ± 0.005°
• γ: 97.624 ± 0.005°
• Cell volume: 2036.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.3634
• Residual factor for significantly intense reflections: 0.136
• Weighted residual factors for significantly intense reflections: 0.2802
• Weighted residual factors for all reflections included in the refinement: 0.381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No