Information card for entry 7119783

Structure parameters

• Formula: C33 H32 O2 Si
• Calculated formula: C33 H32 O2 Si
• SMILES: [C@H](C(=O)OC(c1cccc2ccccc12)c1cccc2ccccc12)(C)[Si@H](C(C)C)c1ccccc1
• 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: 7.8733 ± 0.0003 Å
• b: 11.1819 ± 0.0004 Å
• c: 29.729 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.3 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No