Information card for entry 1517563

Structure parameters

• Formula: C27 H32 Si
• Calculated formula: C27 H32 Si
• SMILES: c1(c(c(cc(c1)C1CCCCC1)c1ccccc1)c1ccccc1)[Si](C)(C)C
• Title of publication: Hydroalumination-Triggered Cyclization of Silylated 1,3-Dien-5-ynes to Polysubstituted Benzenes.
• Authors of publication: Kinoshita, Hidenori; Tohjima, Takayuki; Miura, Katsukiyo
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4762 - 4765
• a: 6.4976 ± 0.0005 Å
• b: 19.873 ± 0.0014 Å
• c: 17.4966 ± 0.0013 Å
• α: 90°
• β: 97.696 ± 0.001°
• γ: 90°
• Cell volume: 2238.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No