Information card for entry 1516011

Structure parameters

• Formula: C20 H32 O4
• Calculated formula: C20 H30 O4
• SMILES: OC(=O)[C@@]1([C@H]2[C@]([C@@H](C[C@@H](O)C(=C)C=C)C(=C)CC2)(C)CCC1)C.O
• 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: 20.0401 ± 0.0008 Å
• b: 20.0401 ± 0.0008 Å
• c: 9.4689 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3802.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No