Information card for entry 1503540

Structure parameters

• Common name: tenuipyrone
• Formula: C16 H18 O6
• Calculated formula: C16 H18 O6
• SMILES: o1c(cc2O[C@@]3(O[C@@H](CC3)C)[C@@H]3[C@H](c2c1=O)[C@@H](O)CC3=O)C
• Title of publication: Tenuipyrone, a novel skeletal polyketide from the entomopathogenic fungus, Isaria tenuipes, cultivated in the presence of epigenetic modifiers.
• Authors of publication: Asai, Teigo; Chung, Yu-Ming; Sakurai, Hiroaki; Ozeki, Tomoji; Chang, Fang-Rong; Yamashita, Kouwa; Oshima, Yoshiteru
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 513 - 515
• a: 16.6297 ± 0.0004 Å
• b: 8.0075 ± 0.0002 Å
• c: 10.8932 ± 0.0003 Å
• α: 90°
• β: 91.258 ± 0.001°
• γ: 90°
• Cell volume: 1450.21 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No