Information card for entry 7130667

Structure parameters

• Formula: C17 H25 Br O Si
• Calculated formula: C17 H25 Br O Si
• SMILES: Brc1c([Si](C(C)C)(C(C)C)C(C)C)oc2c1cccc2
• Title of publication: Intramolecular activation of strong Si-O bonds by gold(I): regioselective synthesis of 3-bromo-2-silylbenzofurans.
• Authors of publication: Fernández-Canelas, Paula; Miguélez, Rubén; Rubio, Eduardo; González, José Manuel; Barrio, Pablo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 66
• Pages of publication: 9250 - 9253
• a: 7.7171 ± 0.0008 Å
• b: 8.91 ± 0.0007 Å
• c: 12.9401 ± 0.0008 Å
• α: 82.729 ± 0.006°
• β: 84.143 ± 0.007°
• γ: 80.754 ± 0.008°
• Cell volume: 868.09 ± 0.13 ų
• Cell temperature: 149.9 ± 0.2 K
• Ambient diffraction temperature: 149.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No