Information card for entry 4134261

Structure parameters

• Formula: C18 H28 O2
• Calculated formula: C18 H28 O2
• SMILES: O=C1[C@@]2([C@H]3[C@](CC1)(CC[C@@H]3[C@@](O)(CC2)C)C)[C@H](C)C=C
• Title of publication: Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.
• Authors of publication: Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.9993 ± 0.0012 Å
• b: 12.0989 ± 0.0017 Å
• c: 16.417 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1588.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No