Information card for entry 4037802

Structure parameters

• Formula: C28 H53 N3 O5
• Calculated formula: C28 H53 N3 O5
• SMILES: O=C(N(CC(=O)N(CC(=O)OC(C)(C)C)[C@H](C(C)(C)C)C)[C@@H](C)C(C)(C)C)CN(C(C)(C)C)C(=O)C
• Title of publication: Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers.
• Authors of publication: Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 9.795 Å
• b: 9.845 Å
• c: 10.769 Å
• α: 88.79°
• β: 63.77°
• γ: 60.84°
• Cell volume: 788.074 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No