Information card for entry 4513875

Structure parameters

• Formula: C43 H73 N O11
• Calculated formula: C43 H73 N O11
• SMILES: C(=O)([C@@H]([C@H]1CC[C@@H]([C@H]([C@H]([C@@H]([C@@H](C(=O)[C@@H]([C@@H]2[C@H](C[C@H]([C@@]3(C=C[C@H]([C@]4(CC[C@]([C@H]5CC[C@@]([C@H](C)O5)(CC)O)(C)O4)O3)O)O2)C)C)CC)C)O)C)O1)C)CC)NOC
• Title of publication: Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.
• Authors of publication: Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel
• Journal of publication: ACS medicinal chemistry letters
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 635 - 640
• a: 12.678 ± 0.001 Å
• b: 18.461 ± 0.002 Å
• c: 18.603 ± 0.001 Å
• α: 90°
• β: 101.706 ± 0.007°
• γ: 90°
• Cell volume: 4263.4 ± 0.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1631
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No