Information card for entry 4130551

Structure parameters

• Common name: L-(/aMe)Val(-OtBu)-FUM-(Aib)4-Gly-NH2
• Formula: C32 H55 N7 O9
• Calculated formula: C32 H55 N7 O9
• SMILES: C(C)(C)(C)OC(=O)[C@@](NC(=O)/C=C/C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(=O)N)(C(C)C)C
• Title of publication: Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.
• Authors of publication: Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 25
• Pages of publication: 8007 - 8018
• a: 9.0142 ± 0.00014 Å
• b: 10.94112 ± 0.00014 Å
• c: 38.4416 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3791.32 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No