Information card for entry 1540710

Structure parameters

• Formula: C26 H30 O9
• Calculated formula: C26 H30 O9
• SMILES: O1[C@](/C=C/C=C/CC)(C(=O)C(=C1[C@@H]1[C@](O)(c2c(O)c(O)c(OC)cc2C(=O)[C@@H]1C)C)C(=O)OC)C
• Title of publication: LC-MS-Guided Isolation of Penicilfuranone A: A New Antifibrotic Furancarboxylic Acid from the Plant Endophytic Fungus Penicillium sp. sh18.
• Authors of publication: Wang, Wei-Guang; Li, Ao; Yan, Bing-Chao; Niu, Shu-Bin; Tang, Jian-Wei; Li, Xiao-Nian; Du, Xue; Challis, Gregory L.; Che, Yongsheng; Sun, Han-Dong; Pu, Jian-Xin
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 149 - 155
• a: 8.464 ± 0.0003 Å
• b: 15.4214 ± 0.0005 Å
• c: 19.4594 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2539.97 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No