Information card for entry 7212732

Structure parameters

• Formula: C14 H14 B Bi F4 O S
• Calculated formula: C14 H14 B Bi F4 O S
• SMILES: [Bi]12([S](Cc3c1cccc3)Cc1ccccc21)[OH2].[B](F)(F)(F)[F-]
• Title of publication: Facile separation catalyst system: direct diastereoselective synthesis of (E)-α,β-unsaturated ketones catalyzed by an air-stable Lewis acidic/basic bifunctional organobismuth complex in ionic liquids
• Authors of publication: Qiu, Renhua; Qiu, Yimiao; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Xu, Xinhua; Zhang, Xiaowen; Luo, Shenglian; Au, Chak-Tong; Wong, Wai-Yeung
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 1767
• a: 13.8004 ± 0.0008 Å
• b: 11.5529 ± 0.0006 Å
• c: 9.8253 ± 0.0006 Å
• α: 90°
• β: 93.005 ± 0.001°
• γ: 90°
• Cell volume: 1564.34 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No