Information card for entry 4084960

Structure parameters

• Formula: C24 H18 Si
• Calculated formula: C24 H18 Si
• SMILES: [Si]1(c2ccccc2)(c2ccccc2)c2ccccc2c2c1cccc2
• Title of publication: B(C6F5)3-Catalyzed Synthesis of Benzofused-Siloles
• Authors of publication: Curless, Liam D.; Ingleson, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7241
• a: 8.9263 ± 0.0018 Å
• b: 17.961 ± 0.004 Å
• c: 22.275 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3571.2 ± 1.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No