Information card for entry 7157353

Structure parameters

• Formula: C16 H32 N6 O5
• Calculated formula: C16 H32 N6 O5
• SMILES: O=C(N)[C@@H](NC(=O)N(NC(=O)N(NC(=O)OC(C)(C)C)C(C)C)C)C(C)C
• Title of publication: Introducing sequential aza-amino acids units induces repeated β-turns and helical conformations in peptides.
• Authors of publication: Tonali, Nicolo; Correia, Isabelle; Lesma, Jacopo; Bernadat, Guillaume; Ongeri, Sandrine; Lequin, Olivier
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 3452 - 3458
• a: 10.4497 ± 0.0003 Å
• b: 14.6303 ± 0.0004 Å
• c: 15.2786 ± 0.0005 Å
• α: 90°
• β: 108.211 ± 0.002°
• γ: 90°
• Cell volume: 2218.83 ± 0.12 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0371
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No