Information card for entry 7123084

Structure parameters

• Formula: C38 H31 Br3 O9
• Calculated formula: C38 H31 Br3 O9
• 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: 9.7677 ± 0.0007 Å
• b: 13.6042 ± 0.0012 Å
• c: 14.1949 ± 0.0011 Å
• α: 93.234 ± 0.007°
• β: 99.276 ± 0.006°
• γ: 105.176 ± 0.007°
• Cell volume: 1787 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No