Information card for entry 1516012

Structure parameters

• Formula: C20 H32 O2
• Calculated formula: C20 H32 O2
• SMILES: OC[C@]1([C@@H]2CCC3=C[C@@](C=C)(C[C@@H](O)[C@@H]3[C@]2(CCC1)C)C)C
• Title of publication: Diterpenoids from the twigs and leaves of Fokienia hodginsii.
• Authors of publication: Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 1032 - 1038
• a: 8.314 ± 0.0002 Å
• b: 10.5467 ± 0.0003 Å
• c: 20.9187 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.26 ± 0.09 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: 0.0345
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No