Information card for entry 1557139

Structure parameters

• Formula: C19 H30 O3
• Calculated formula: C19 H30 O3
• SMILES: O1CC[C@@]2([C@H]1C1=CC[C@H]3[C@](O)(CO)CCC[C@@]3([C@H]1CC2)C)C
• Title of publication: Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.
• Authors of publication: Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 6.8215 ± 0.0006 Å
• b: 10.0565 ± 0.0008 Å
• c: 24.1425 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No