Information card for entry 7119039

Structure parameters

• Formula: C29 H49 N5 O8
• Calculated formula: C29 H49 N5 O8
• SMILES: COC(=O)[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
• Title of publication: Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents
• Authors of publication: Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 5950
• a: 9.7107 ± 0.0007 Å
• b: 17.8054 ± 0.0012 Å
• c: 18.6925 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3232 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0299
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No