Information card for entry 7150900

Structure parameters

• Formula: C30 H36 Cl N O Si2
• Calculated formula: C30 H36 Cl N O Si2
• SMILES: [Si]1(c2ccccc2CC1)(C(C)(C)C)OC(C#C[Si](C)(C)C)(c1ccc(cc1)Cl)Cc1ncccc1
• 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: 10.2053 ± 0.0004 Å
• b: 10.5866 ± 0.0005 Å
• c: 16.192 ± 0.0008 Å
• α: 72.052 ± 0.002°
• β: 80.971 ± 0.002°
• γ: 62.274 ± 0.004°
• Cell volume: 1472.97 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1136
• 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: No
• Has Fobs: No