Information card for entry 4131630

Structure parameters

• Formula: C23 H22 O Si
• Calculated formula: C23 H22 O Si
• SMILES: [Si]1(c2ccccc2CC(=O)CCC1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Intermolecular Exchange between C-C and C-Si σ-Bonds.
• Authors of publication: Okumura, Shintaro; Sun, Fangzhu; Ishida, Naoki; Murakami, Masahiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12414 - 12417
• a: 9.8592 ± 0.0005 Å
• b: 10.2085 ± 0.0006 Å
• c: 10.9817 ± 0.0007 Å
• α: 64.914 ± 0.002°
• β: 78.901 ± 0.002°
• γ: 65.914 ± 0.0014°
• Cell volume: 913.61 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No