Information card for entry 4518970

Structure parameters

• Formula: C20 H28 N O2 P Si
• Calculated formula: C20 H28 N O2 P Si
• 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: 7.2482 ± 0.0003 Å
• b: 9.4977 ± 0.0004 Å
• c: 16.211 ± 0.0007 Å
• α: 81.234 ± 0.004°
• β: 84.074 ± 0.003°
• γ: 68.141 ± 0.004°
• Cell volume: 1022.33 ± 0.08 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No