Information card for entry 7155047

Structure parameters

• Formula: C32 H50 N4 O7
• Calculated formula: C32 H50 N4 O7
• SMILES: O(C(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(NC(=O)CC1(CCCCC1)CNC(=O)OC(C)(C)C)C)Cc1ccccc1)C
• Title of publication: Structural and morphological diversity of self-assembled synthetic γ-amino acid containing peptides.
• Authors of publication: Konda, Maruthi; Kauffmann, Brice; Rasale, Dnyaneshwar B.; Das, Apurba K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4089 - 4102
• a: 12.332 ± 0.003 Å
• b: 12.412 ± 0.003 Å
• c: 21.736 ± 0.004 Å
• α: 90.58 ± 0.03°
• β: 95.38 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 3312.2 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1339
• Residual factor for significantly intense reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.3687
• Weighted residual factors for all reflections included in the refinement: 0.3761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.506
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No