Information card for entry 4122797

Structure parameters

• Formula: C38 H60 N4 O7
• Calculated formula: C38 H60 N4 O7
• SMILES: O(C(C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC)[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC)[C@@H]1CCCC[C@H]1C(=O)OCc1ccccc1
• Title of publication: A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.
• Authors of publication: Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 15046 - 15053
• a: 13.8249 ± 0.0011 Å
• b: 16.1166 ± 0.0011 Å
• c: 17.3628 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3868.6 ± 0.6 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: 0.0285
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No