Information card for entry 4134263

Structure parameters

• Formula: C14 H22 O2
• Calculated formula: C14 H22 O2
• SMILES: O[C@@H]1CC[C@]2([C@@H]3[C@@H]1CC[C@](O)([C@H]3C=C2)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: 7.539 ± 0.0001 Å
• b: 10.9976 ± 0.0002 Å
• c: 15.373 ± 0.0003 Å
• α: 90°
• β: 97.424 ± 0.001°
• γ: 90°
• Cell volume: 1263.9 ± 0.04 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0305
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No