Information card for entry 2011726

Structure parameters

• Formula: C43 H68 O11
• Calculated formula: C43 H68 O11
• SMILES: OC(=O)c1c(O)c(ccc1CC[C@H]([C@H](O)[C@@H](C(=O)[C@@H]([C@H]1O[C@@]2(O[C@]3(O[C@@](C[C@H]3C)([C@@H]3O[C@@](CC3)([C@H](O)C)C)CC)CC=C2)[C@@H](C[C@@H]1C)C)CC)C)C)C.O
• Title of publication: Polyether antibiotic CP44,161
• Authors of publication: Allen, Paul; Brimble, Margaret A.; Turner, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 95 - 96
• a: 12.373 ± 0.002 Å
• b: 31.939 ± 0.002 Å
• c: 11.064 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4372.3 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.1518
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes