Information card for entry 1555279

Structure parameters

• Common name: Boc-UgFNMUgFNHMe
• Chemical name: Boc-UgFNMUgFNHMe
• Formula: C37 H54 N6 O8
• Calculated formula: C37 H54 N6 O8
• SMILES: O=C(N[C@H]([C@H](CC(=O)NC(C(=O)N[C@H](CCC(=O)NC)Cc1ccccc1)(C)C)CN(=O)=O)Cc1ccccc1)C(NC(=O)OC(C)(C)C)(C)C
• 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: 11.813 ± 0.003 Å
• b: 9.272 ± 0.002 Å
• c: 19.747 ± 0.004 Å
• α: 90°
• β: 104.524 ± 0.005°
• γ: 90°
• Cell volume: 2093.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No