Information card for entry 7157381

Structure parameters

• Chemical name: Xylarilongipin A
• Formula: C19 H30 O3
• Calculated formula: C19 H30 O3
• SMILES: O.O[C@@]12[C@H]3[C@@](C45C(=C[C@H]3OC2)CC(C)(CC4)CC5)(CCC1)C
• Title of publication: Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.
• Authors of publication: Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 2410 - 2415
• a: 7.5487 ± 0.0002 Å
• b: 6.7333 ± 0.0002 Å
• c: 15.8235 ± 0.0005 Å
• α: 90°
• β: 93.459 ± 0.001°
• γ: 90°
• Cell volume: 802.81 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No