Information card for entry 1555718

Structure parameters

• Formula: C27 H35 N O Si
• Calculated formula: C27 H35 N O Si
• SMILES: [Si](OC1=C(CCCC1c1c([nH]c2c1cccc2)c1ccccc1)C)(C)(C)C(C)(C)C
• Title of publication: Effects of Solvent and Residual Water on Enhancing the Reactivity of Six-Membered Silyloxyallyl Cations toward Nucleophilic Addition.
• Authors of publication: Malone, Joshua A.; Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4408 - 4411
• a: 8.5706 ± 0.001 Å
• b: 31.946 ± 0.004 Å
• c: 9.0911 ± 0.0012 Å
• α: 90°
• β: 99.794 ± 0.004°
• γ: 90°
• Cell volume: 2452.8 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No