Information card for entry 7156498

Structure parameters

• Chemical name: Boc-(S)-(αMe)Aze-(S)-Ala-(S)-(αMe)Aze-(S)-Ala-OMe
• Formula: C22 H36 N4 O7
• Calculated formula: C22 H36 N4 O7
• Title of publication: A novel peptide conformation: the γ-bend ribbon.
• Authors of publication: Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 7947 - 7958
• a: 20.6903 ± 0.0003 Å
• b: 5.75339 ± 0.00009 Å
• c: 23.2601 ± 0.0003 Å
• α: 90°
• β: 110.085 ± 0.002°
• γ: 90°
• Cell volume: 2600.48 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No