Information card for entry 7150901

Structure parameters

• Formula: C31 H39 N O2 Si2
• Calculated formula: C31 H39 N O2 Si2
• Title of publication: Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane
• Authors of publication: Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1435 - 1440
• a: 14.6545 ± 0.0004 Å
• b: 21.6938 ± 0.0006 Å
• c: 19.1708 ± 0.0005 Å
• α: 90°
• β: 101.885 ± 0.001°
• γ: 90°
• Cell volume: 5964 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No