Information card for entry 1557375

Structure parameters

• Formula: C17 H26 O5
• Calculated formula: C17 H26 O5
• SMILES: O.O=C1C=C2CC[C@@H]3[C@@](C)([C@H]2C[C@H]1O)CCC[C@]3(C(=O)O)C
• Title of publication: Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity
• Authors of publication: Fu, Yifan; Ding, Xiaoyu; Zhang, Xianglei; Shao, Xingcheng; Zhao, Jihui; Xu, Yechun; Luo, Xiaomin; Zhao, Weimin
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 9.8562 ± 0.0002 Å
• b: 7.7464 ± 0.0002 Å
• c: 10.34 ± 0.0002 Å
• α: 90°
• β: 91.055 ± 0.001°
• γ: 90°
• Cell volume: 789.33 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0316
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No