Information card for entry 4515910

Structure parameters

• Common name: 2OK-1
• Chemical name: 2OK-1
• Formula: C14 H20 O4
• Calculated formula: C14 H20 O4
• SMILES: O[C@@H]([C@H](C(=O)[C@@]12C(=O)C(=C[C@@](O)([C@@H]1C2)C)C)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: 9.0317 ± 0.0005 Å
• b: 10.0478 ± 0.0005 Å
• c: 15.5635 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1412.37 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1508
• Residual factor for significantly intense reflections: 0.1282
• Weighted residual factors for significantly intense reflections: 0.2979
• Weighted residual factors for all reflections included in the refinement: 0.3227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No