Information card for entry 1546941

Structure parameters

• Formula: C27 H26 B F4 N O Si
• Calculated formula: C27 H26 B F4 N O Si
• SMILES: [Si](c1c([n+]2c3ccccc3ccc2c2ccccc12)c1ccc(OC)cc1)(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Photosensitizer-free visible light-mediated gold-catalysed cis-difunctionalization of silyl-substituted alkynes
• Authors of publication: Wong, Man Kin; Deng, Jie-Ren; Chan, Wing-Cheung; Lai, Nathanael Chun-Him; Yang, Bin; Tsang, Chui-Shan; Ko, Ben, Chi-Bun; Chan, Sharon Lai-Fung
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 9.6894 ± 0.0007 Å
• b: 14.7175 ± 0.0011 Å
• c: 17.3626 ± 0.0013 Å
• α: 90°
• β: 92.186 ± 0.002°
• γ: 90°
• Cell volume: 2474.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No