Information card for entry 7119782

Structure parameters

• Formula: C42 H34 O2 Si
• Calculated formula: C42 H34 O2 Si
• SMILES: c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)[C@H](C)C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12
• Title of publication: Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.
• Authors of publication: Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 3753 - 3756
• a: 10.9103 ± 0.0002 Å
• b: 12.8039 ± 0.0003 Å
• c: 12.816 ± 0.0003 Å
• α: 94.2055 ± 0.0015°
• β: 104.224 ± 0.0014°
• γ: 112.073 ± 0.0014°
• Cell volume: 1580.65 ± 0.06 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No