Information card for entry 7709312

Structure parameters

• Formula: C22 H18 B4 Br2 F6 N8 O
• Calculated formula: C22 H18 B4 Br2 F6 N8 O
• Title of publication: B-O-B Bridged BOPPY Derivatives: Synthesis, Structures, and Acid-Catalyzed Cis-Trans Isomeric Interconversion
• Authors of publication: Wang, Sisi; Wang, Zhaoli; Song, Wenting; Gao, Hu; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.673 ± 0.001 Å
• b: 24.2903 ± 0.0019 Å
• c: 8.7967 ± 0.0008 Å
• α: 90°
• β: 107.285 ± 0.005°
• γ: 90°
• Cell volume: 2585.6 ± 0.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No