Information card for entry 4021425

Structure parameters

• Formula: C25 H38 O2 Si
• Calculated formula: C25 H38 O2 Si
• SMILES: O([Si](C(C)(C)C)(C)C)C(=C\1C[C@@]2(C=O)CCCC[C@@]2(CC1)C)\c1ccccc1.O([Si](C(C)(C)C)(C)C)C(=C\1C[C@]2(C=O)CCCC[C@]2(CC1)C)\c1ccccc1
• Title of publication: Control of Stereoselective Protonation of Enols
• Authors of publication: Howard E. Zimmerman; Jie Cheng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 873 - 882
• a: 6.5285 ± 0.0008 Å
• b: 10.708 ± 0.0014 Å
• c: 16.894 ± 0.002 Å
• α: 101.409 ± 0.002°
• β: 100.481 ± 0.002°
• γ: 94.819 ± 0.002°
• Cell volume: 1129.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No