Information card for entry 7121171

Structure parameters

• Formula: C40 H55 N Si2
• Calculated formula: C40 H55 N Si2
• SMILES: [Si](C#Cc1c(c(cc(c2ccccc2)c1)C#C[Si](C(C)C)(C(C)C)C(C)C)c1c(cccc1)N)(C(C)C)(C(C)C)C(C)C
• Title of publication: Palladium-catalyzed primary amine-directed regioselective mono- and di-alkynylation of biaryl-2-amines.
• Authors of publication: Jiang, Guangbin; Hu, Weigao; Li, Jianxiao; Zhu, Chuanle; Wu, Wanqing; Jiang, Huanfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 1746 - 1749
• a: 15.373 ± 0.0008 Å
• b: 7.7388 ± 0.0004 Å
• c: 32.2857 ± 0.0016 Å
• α: 90°
• β: 101.174 ± 0.005°
• γ: 90°
• Cell volume: 3768.2 ± 0.3 ų
• Cell temperature: 105 ± 8 K
• Ambient diffraction temperature: 105 ± 8 K
• Number of distinct elements: 4
• 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: 0.12
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No