Information card for entry 4134079

Structure parameters

• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: O=C1C=C2[C@@](CC1)(CC[C@H]1C(CC[C@@H](O)[C@]21C)(C)C)/C=C/C.O=C1C=C2[C@](CC1)(CC[C@@H]1C(CC[C@H](O)[C@@]21C)(C)C)/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: 6.5447 ± 0.0002 Å
• b: 11.3048 ± 0.0004 Å
• c: 12.0755 ± 0.0003 Å
• α: 103.67 ± 0.002°
• β: 90.651 ± 0.002°
• γ: 94.336 ± 0.003°
• Cell volume: 865.24 ± 0.05 ų
• Cell temperature: 179.99 ± 0.14 K
• Ambient diffraction temperature: 179.99 ± 0.14 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No