Information card for entry 4125029

Structure parameters

• Formula: C17 H24 O Si
• Calculated formula: C17 H24 O Si
• SMILES: c1(ccccc1)/C=C/[C@H](C(C#C[Si](C)(C)C)(C)C)O
• Title of publication: Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.
• Authors of publication: Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 16
• Pages of publication: 5238 - 5241
• a: 6.0162 ± 0.0003 Å
• b: 17.8089 ± 0.0007 Å
• c: 16.1195 ± 0.0005 Å
• α: 90°
• β: 94.191 ± 0.003°
• γ: 90°
• Cell volume: 1722.46 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No