Information card for entry 1565516

Structure parameters

• Formula: C22 H28 O8
• Calculated formula: C22 H28 O8
• SMILES: O1[C@]23[C@@]1(C=C[C@@]1(O)[C@@H]3C(=O)C=C(C1)C)[C@@H](O)c1c(OC)cccc1[C@@H]2O.OC.OC
• Title of publication: Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete <i>Saccharothrix</i> sp. D09.
• Authors of publication: Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 2875 - 2884
• a: 7.50545 ± 0.00006 Å
• b: 7.48037 ± 0.00005 Å
• c: 18.43974 ± 0.00014 Å
• α: 90°
• β: 92.1467 ± 0.0007°
• γ: 90°
• Cell volume: 1034.55 ± 0.013 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No