Information card for entry 1555277

Structure parameters

• Common name: Boc-gVNM-gVNM-gVNM-OEt
• Chemical name: Boc-gVNM-gVNM-gVNM-OEt
• Formula: C32.33333 H57.66667 N6 O12.66667
• Calculated formula: C32.3333 H57.6667 N6 O12.6667
• SMILES: O=C(N[C@H]([C@@H](CN(=O)=O)CC(=O)N[C@H]([C@H](CC(=O)OCC)CN(=O)=O)C(C)C)C(C)C)C[C@@H]([C@H](C(C)C)NC(=O)OC(C)(C)C)CN(=O)=O.C(OC(=O)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: 15.4725 ± 0.0013 Å
• b: 16.0538 ± 0.0014 Å
• c: 16.749 ± 0.003 Å
• α: 107.8 ± 0.002°
• β: 106.461 ± 0.002°
• γ: 106.157 ± 0.002°
• Cell volume: 3482.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.699
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No