Information card for entry 1553528

Structure parameters

• Formula: C22 H32 O2 Si
• Calculated formula: C22 H32 O2 Si
• SMILES: C1(=C(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccc(C)cc2)OCCO1
• Title of publication: Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion
• Authors of publication: Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 1691
• a: 12.7034 ± 0.0011 Å
• b: 11.6077 ± 0.001 Å
• c: 28.683 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4229.5 ± 0.9 ų
• Cell temperature: 102.1 K
• Ambient diffraction temperature: 102.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.1532
• Weighted residual factors for significantly intense reflections: 0.3787
• Weighted residual factors for all reflections included in the refinement: 0.4104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No