Information card for entry 4037803

Structure parameters

• Formula: C48 H91 N5 O9
• Calculated formula: C48 H91 N5 O9
• SMILES: O(C(C)(C)C)C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN([C@H](C(C)(C)C)C)C(=O)C)[C@@H](C)C(C)(C)C)C(C)(C)C)[C@@H](C)C(C)(C)C)[C@@H](C)C(C)(C)C.O=C(OCC)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: 13.584 ± 0.003 Å
• b: 16.196 ± 0.004 Å
• c: 24.572 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5406 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.18
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No