Information card for entry 7155249

Structure parameters

• Formula: C27 H44 N4 O9
• Calculated formula: C27 H44 N4 O9
• SMILES: O(C)C(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](OC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C)C)C
• Title of publication: Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.
• Authors of publication: Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 8438 - 8442
• a: 10.4185 ± 0.0004 Å
• b: 15.6536 ± 0.0006 Å
• c: 18.156 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2961 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.041
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0857
• 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