Information card for entry 4134082

Structure parameters

• Formula: C20 H30 O
• Calculated formula: C20 H30 O
• SMILES: O[C@@H]1C=C2[C@@]3(C[C@H]1C(=C)C3)CC[C@@H]1[C@@]2(CCCC1(C)C)C.O[C@H]1C=C2[C@]3(C[C@@H]1C(=C)C3)CC[C@H]1[C@]2(CCCC1(C)C)C
• Title of publication: Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.
• Authors of publication: Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 20.9667 ± 0.0003 Å
• b: 20.9667 ± 0.0003 Å
• c: 7.7032 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3386.35 ± 0.15 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No