Information card for entry 1555278

Structure parameters

• Common name: Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt
• Chemical name: Boc-gV(NM)-gV(NM)-gV(NM)-gV(NM)-OEt
• Formula: C39 H70 N8 O15
• Calculated formula: C39 H70 N8 O15
• SMILES: O(C(C)(C)C)C(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)N[C@H]([C@H](CC(=O)OCC)CN(=O)=O)C(C)C)CN(=O)=O)C(C)C)CN(=O)=O)C(C)C)CN(=O)=O)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: 9.319 ± 0.004 Å
• b: 23.446 ± 0.01 Å
• c: 11.396 ± 0.005 Å
• α: 90°
• β: 108.442 ± 0.007°
• γ: 90°
• Cell volume: 2362.1 ± 1.8 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: 0.0531
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No