Information card for entry 7155048

Structure parameters

• Formula: C32 H52 N4 O9
• Calculated formula: C32 H52 N4 O9
• SMILES: O(C(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)CC1(CCCCC1)CNC(=O)OC(C)(C)C)(C)C)Cc1ccc(O)cc1)(C)C)C.O
• 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: 11.493 ± 0.002 Å
• b: 17.104 ± 0.003 Å
• c: 18.432 ± 0.004 Å
• α: 90°
• β: 103.96 ± 0.03°
• γ: 90°
• Cell volume: 3516.3 ± 1.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 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: 0.0576
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No