Information card for entry 4120587

Structure parameters

• Common name: js11nov13
• Formula: C23 H38 N3 O6
• Calculated formula: C23 H38 N3 O6
• SMILES: COC(=O)[C@H](C)NC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)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: 10.1948 ± 0.001 Å
• b: 11.7506 ± 0.0011 Å
• c: 21.0907 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.6 ± 0.4 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: 0.0706
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No