Information card for entry 7229500

Structure parameters

• Formula: C16 H28 O4
• Calculated formula: C16 H28 O4
• SMILES: O1[C@@]23O[C@@H]([C@H]1CC[C@@H]3[C@H](O)CC[C@@H]2O)CCCCCC
• Title of publication: Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi
• Authors of publication: Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 81
• Pages of publication: 51335
• a: 5.4518 ± 0.0005 Å
• b: 12.6676 ± 0.0011 Å
• c: 23.036 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1590.9 ± 0.2 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: 0.1272
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No