Information card for entry 4132189

Structure parameters

• Formula: C36 H40 N2 O11
• Calculated formula: C36 H40 N2 O11
• SMILES: O(C(=O)c1[nH]c(C)cc1)[C@@H]1[C@@H](OC)C(O[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(c4)CC=C(C)C)c(=O)oc3c2C)[C@@H]1O)(C)C
• Title of publication: Novobiocin Enhances Polymyxin Activity by Stimulating Lipopolysaccharide Transport.
• Authors of publication: Mandler, Michael D.; Baidin, Vadim; Lee, James; Pahil, Karanbir S.; Owens, Tristan W.; Kahne, Daniel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 22
• Pages of publication: 6749 - 6753
• a: 7.1329 ± 0.0002 Å
• b: 17.6817 ± 0.0004 Å
• c: 35.8965 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4527.33 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No