Information card for entry 1553388

Structure parameters

• Formula: C19 H23 O6.5
• Calculated formula: C19 H23 O6.5
• SMILES: C1(=O)/C2=C(/CC[C@@H](C(=O)[C@@]34C=C[C@]5(C[C@@H]([C@]([C@H]3O)(C)O[C@@]245)C)O1)C)O.O
• Title of publication: Abyssomicin Monomers and Dimers from the Marine-Derived Streptomyces koyangensis SCSIO 5802.
• Authors of publication: Huang, Hongbo; Song, Yongxiang; Li, Xin; Wang, Xin; Ling, Chunyao; Qin, Xiangjing; Zhou, Zhenbin; Li, Qinglian; Wei, Xiaoyi; Ju, Jianhua
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 8
• Pages of publication: 1892 - 1898
• a: 8.32583 ± 0.00011 Å
• b: 13.41861 ± 0.00019 Å
• c: 29.848 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3334.65 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No