Information card for entry 4518971

Structure parameters

• Formula: C21 H28 O Si2
• Calculated formula: C21 H28 O Si2
• Title of publication: Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold
• Authors of publication: Zhang, Hongpeng; Zhao, Dongbing
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 10748 - 10753
• a: 8.5446 ± 0.0003 Å
• b: 10.3457 ± 0.0003 Å
• c: 22.8129 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2016.66 ± 0.11 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.041
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No