Information card for entry 4513876

Structure parameters

• Formula: C43 H73 N O11
• Calculated formula: C43 H73 N O11
• SMILES: CN(O)C(=O)[C@@H]([C@@H]1O[C@H]([C@H](CC1)C)[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]1O[C@@]2(O[C@]3(O[C@@](CC3)([C@@H]3O[C@H]([C@](O)(CC3)CC)C)C)[C@H](O)C=C2)[C@@H](C[C@@H]1C)C)CC)C)C)CC
• 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: 10.5145 ± 0.0005 Å
• b: 17.8712 ± 0.0006 Å
• c: 12.8433 ± 0.0007 Å
• α: 90°
• β: 114.07 ± 0.007°
• γ: 90°
• Cell volume: 2203.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1186
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No