Information card for entry 1502834

Structure parameters

• Formula: C19 H24 O8
• Calculated formula: C19 H24 O8
• SMILES: c12c(cc(cc1[C@@H]1[C@@H](C[C@@H]([C@@H]([C@@H](C=CC[C@H](C)OC2=O)O)O)O)O1)OC)O
• Title of publication: beta-Resorcylic acid lactones from a Paecilomyces fungus.
• Authors of publication: Xu, Liangxiong; He, Zhengxiang; Xue, Jinghua; Chen, Xiaoping; Wei, Xiaoyi
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 885 - 889
• a: 6.7386 ± 0.0003 Å
• b: 9.6557 ± 0.0005 Å
• c: 27.6093 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.42 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No