Information card for entry 7131803

Structure parameters

• Formula: C30 H42 O Si
• Calculated formula: C30 H42 O Si
• SMILES: [Si]1(O[C@H](c2ccccc2)c2c(cccc2C)[C@@H]1CCC)(C1CCCCC1)C1CCCCC1.[Si]1(O[C@@H](c2ccccc2)c2c(cccc2C)[C@H]1CCC)(C1CCCCC1)C1CCCCC1
• Title of publication: Palladium-catalyzed synthesis of benzosilacyclobutenes via position-selective C(sp3)–H arylation
• Authors of publication: Hamada, Naoya; Hayashi, Daigo; Shintani, Ryo
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.9322 ± 0.0013 Å
• b: 10.0147 ± 0.001 Å
• c: 13.5979 ± 0.0014 Å
• α: 72.762 ± 0.007°
• β: 87.903 ± 0.008°
• γ: 82.672 ± 0.007°
• Cell volume: 1281.2 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No