Information card for entry 1557140

Structure parameters

• Formula: C19 H30 O2
• Calculated formula: C19 H30 O2
• SMILES: O[C@]1(CCC[C@]2([C@H]1CC=C1[C@@H]3[C@@](CC[C@H]21)(C)CCO3)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: 21.2462 ± 0.0012 Å
• b: 8.9711 ± 0.0005 Å
• c: 8.8437 ± 0.0005 Å
• α: 90°
• β: 98.376 ± 0.001°
• γ: 90°
• Cell volume: 1667.65 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0289
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No