Information card for entry 1518654

Structure parameters

• Formula: C42 H59 F3 O10
• Calculated formula: C42 H59 F3 O10
• SMILES: FC(F)(F)[C@](OC)(C(=O)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@@]2(O[C@@](C(=O)[C@H]2CC)(C/C(=C/C1)C)C)O)C)[C@@H](C/C(=C/[C@@H]([C@@H](O)[C@@H](C(=O)CC)C)C)C)C)c1ccccc1
• Title of publication: Actinoallolides A-E, New Anti-trypanosomal Macrolides, Produced by an Endophytic Actinomycete, Actinoallomurus fulvus MK10-036.
• Authors of publication: Inahashi, Yuki; Iwatsuki, Masato; Ishiyama, Aki; Matsumoto, Atsuko; Hirose, Tomoyasu; Oshita, Jun; Sunazuka, Toshiaki; Panbangred, Watanalai; Takahashi, Yoko; Kaiser, Marcel; Otoguro, Kazuhiko; O̅mura, Satoshi
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 864 - 867
• a: 13.4566 ± 0.0003 Å
• b: 8.18811 ± 0.00015 Å
• c: 19.1862 ± 0.0004 Å
• α: 90°
• β: 100.629 ± 0.0007°
• γ: 90°
• Cell volume: 2077.74 ± 0.07 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No