Information card for entry 4120588

Structure parameters

• Common name: js30jun11
• Formula: C21 H34 N3 O6
• Calculated formula: C21 H34 N3 O6
• SMILES: O(C)C(=O)[C@@H](NC(=O)[C@@H]1N(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2)CC[C@@H](C)C1)C
• Title of publication: Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.
• Authors of publication: Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1922 - 1929
• a: 10.083 ± 0.017 Å
• b: 11.513 ± 0.019 Å
• c: 20.46 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2375 ± 7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No