Information card for entry 1544923

Structure parameters

• Formula: C54 H97 N9 O17
• Calculated formula: C54 H97 N9 O17
• SMILES: CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)[C@@H](C)CC)O.O
• Title of publication: Opportunistic Sampling of Roadkill as an Entry Point to Accessing Natural Products Assembled by Bacteria Associated with Non-anthropoidal Mammalian Microbiomes
• Authors of publication: Motley, Jeremy L.; Stamps, Blake W.; Mitchell, Carter A.; Thompson, Alec T.; Cross, Jayson; You, Jianlan; Powell, Douglas R.; Stevenson, Bradley S.; Cichewicz, Robert H.
• Journal of publication: Journal of Natural Products
• Year of publication: 2016
• a: 14.152 ± 0.003 Å
• b: 18.712 ± 0.004 Å
• c: 24.381 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6456 ± 2 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: 0.161
• Residual factor for significantly intense reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.3038
• Weighted residual factors for all reflections included in the refinement: 0.3772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No