Information card for entry 1555276

Structure parameters

• Common name: Boc-gV(NM)-gV(NM)-OEt
• Chemical name: Boc-gV(NM)-gV(NM)-OEt
• Formula: C23 H42 N4 O9
• Calculated formula: C23 H42 N4 O9
• SMILES: O(C(C)(C)C)C(=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
• 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: 13.414 ± 0.011 Å
• b: 13.414 ± 0.011 Å
• c: 13.869 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2161 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No