Information card for entry 1556164

Structure parameters

• Formula: C36 H40 Si3
• Calculated formula: C36 H40 Si3
• SMILES: c1(c(cc(cc1[Si](C)(C)C)[Si](C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Regioselective synthesis of multisubstituted benzenes by palladium-catalyzed intermolecular reaction of β-iodo-β-silylstyrenes with alkynes.
• Authors of publication: Kinoshita, Hidenori; Takahashi, Hirotoshi; Miura, Katsukiyo
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 2962 - 2965
• a: 9.8245 ± 0.0006 Å
• b: 10.2504 ± 0.0006 Å
• c: 17.1303 ± 0.0011 Å
• α: 98.958 ± 0.001°
• β: 106.078 ± 0.001°
• γ: 97.745 ± 0.001°
• Cell volume: 1608.4 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0362
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.357
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No