Information card for entry 1542989

Structure parameters

• Formula: C28 H34 O8
• Calculated formula: C28 H34 O8
• SMILES: O1[C@]2([C@H]3[C@]4([C@]1(O)[C@]1(O[C@]2(O)[C@]([C@H]1C1=C4O[C@H](CC1=O)/C=C/C)(C(=O)/C3=C(\O)CC/C=C/C)C)C)C)C
• Title of publication: Isolation of Secondary Metabolites from the Soil-Derived Fungus Clonostachys rosea YRS-06, a Biological Control Agent, and Evaluation of Antibacterial Activity.
• Authors of publication: Zhai, Ming-Ming; Qi, Feng-Ming; Li, Jie; Jiang, Chun-Xiao; Hou, Yue; Shi, Yan-Ping; Di, Duo-Long; Zhang, Ji-Wen; Wu, Quan-Xiang
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2016
• Journal volume: 64
• Journal issue: 11
• Pages of publication: 2298 - 2306
• a: 23.0058 ± 0.001 Å
• b: 15.2127 ± 0.0005 Å
• c: 7.8037 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2731.14 ± 0.18 ų
• Cell temperature: 293.89 ± 0.1 K
• Ambient diffraction temperature: 154.89 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No