Information card for entry 7123085

Structure parameters

• Formula: C29 H28 O6
• Calculated formula: C29 H28 O6
• Title of publication: A Catalytic Asymmetric One-Pot [3+2] Cyclization/Semipinacol Rearrangement Sequence: An Efficient Construction of MultiSubstituted 3H-Spiro[benzofuran-2,1'-cyclopentane] Skeleton
• Authors of publication: Liu, Lin; Lei, Lin-Sheng; Zhan, Zong-Song; Liu, Si-Zhan; Wang, Yu-Xiao; Tu, Yong Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Ma, Ai-Jun; Wang, Shao-Hua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.305 ± 0.0004 Å
• b: 7.58059 ± 0.00015 Å
• c: 19.3663 ± 0.0004 Å
• α: 90°
• β: 109.178 ± 0.003°
• γ: 90°
• Cell volume: 2399.52 ± 0.1 ų
• Cell temperature: 291.53 ± 0.15 K
• Ambient diffraction temperature: 291.53 ± 0.15 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No