Information card for entry 4068128

Structure parameters

• Formula: C30 H38 Cl2 O2 Si2
• Calculated formula: C30 H38 Cl2 O2 Si2
• SMILES: [Si](C(C(=O)c1ccc(Cl)cc1)=C=C=C([Si](C)(C)C(C)(C)C)C(=O)c1ccc(Cl)cc1)(C)(C)C(C)(C)C
• Title of publication: Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes
• Authors of publication: Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 531
• a: 11.8773 ± 0.0007 Å
• b: 13.8122 ± 0.0009 Å
• c: 37.927 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6222 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No