Information card for entry 4515911

Structure parameters

• Common name: OK-17
• Chemical name: OK-17
• Formula: C14 H20 O3
• Calculated formula: C14 H20 O3
• SMILES: O[C@@]1([C@@H]2C[C@@]2(C(=O)C(=C1)C)C(=O)[C@H](CC)C)C
• Title of publication: Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.
• Authors of publication: Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 176 - 180
• a: 13.4241 ± 0.0006 Å
• b: 13.4241 ± 0.0006 Å
• c: 7.2863 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1313.04 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No