Information card for entry 1555280

Structure parameters

• Common name: Boc-(UgFNM)2-NHMe
• Chemical name: Boc-(UgFNM)2-NHMe
• Formula: C44 H71 N7 O12
• Calculated formula: C44 H71 N7 O12
• SMILES: OC(C)C.O(C(C)(C)C)C(=O)NC(C(=O)N[C@H]([C@H](CC(=O)NC(C(=O)N[C@@H](Cc1ccccc1)[C@@H](CN(=O)=O)CC(=O)NC)(C)C)CN(=O)=O)Cc1ccccc1)(C)C.CC(C)O
• Title of publication: γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.
• Authors of publication: Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4738 - 4741
• a: 27.637 ± 0.018 Å
• b: 27.637 ± 0.018 Å
• c: 11.845 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7835 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.2669
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No