Information card for entry 1567982

Structure parameters

• Formula: C20 H26 O2
• Calculated formula: C20 H26 O2
• Title of publication: InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids
• Authors of publication: Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 20.2191 ± 0.0002 Å
• b: 11.5724 ± 0.0001 Å
• c: 14.8457 ± 0.0002 Å
• α: 90°
• β: 92.801 ± 0.001°
• γ: 90°
• Cell volume: 3469.5 ± 0.07 ų
• Cell temperature: 301.82 ± 0.11 K
• Ambient diffraction temperature: 301.82 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No