Information card for entry 4515646

Structure parameters

• Formula: C39 H38 Br N O Si2
• Calculated formula: C39 H38 Br N O Si2
• SMILES: Brc1cc2c3c(n(c2cc1)C(=O)C/C(=C\[C@H]([Si](c1ccccc1)(C)C)c1ccccc1)[Si](c1ccccc1)(C)C)cccc3
• Title of publication: Catalytically Asymmetric Synthesis of 1,3-Bis(silyl)propenes via Copper-Catalyzed Double Proto-Silylations of Polar Enynes
• Authors of publication: Meng, Fei-Fan; Xie, Jia-Hao; Xu, Yun-He; Loh, Teck-Peng
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 5306
• a: 9.6879 ± 0.001 Å
• b: 9.8487 ± 0.0011 Å
• c: 34.927 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3332.5 ± 0.6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No