Information card for entry 4088430

Structure parameters

• Formula: C30 H34 Si2
• Calculated formula: C30 H34 Si2
• SMILES: [Si](C1C(=C(c2c1c1c(cc2)cccc1)C[Si](C)(C)C)c1ccc2c(c1)cccc2)(C)(C)C
• Title of publication: Calcium-Mediated C‒H and C‒F Bond Cleavage: Synthesis of Indenes and Perfluorodibenzopentalenes from 1,4-Dilithio-1,3-butadienes
• Authors of publication: Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 1458
• a: 11.0725 ± 0.0012 Å
• b: 12.7749 ± 0.0013 Å
• c: 18.5797 ± 0.0011 Å
• α: 85.577 ± 0.007°
• β: 88.528 ± 0.007°
• γ: 86.739 ± 0.008°
• Cell volume: 2615.4 ± 0.4 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1996
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No