Information card for entry 1555719

Structure parameters

• Formula: C21 H30 Br N O Si
• Calculated formula: C21 H30 Br N O Si
• SMILES: Brc1cc2c(C3C(=C(CCC3)C)O[Si](C)(C)C(C)(C)C)c[nH]c2cc1
• 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: 12.2375 ± 0.0006 Å
• b: 14.2198 ± 0.0008 Å
• c: 13.0699 ± 0.0006 Å
• α: 90°
• β: 113.855 ± 0.002°
• γ: 90°
• Cell volume: 2080.06 ± 0.19 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 6
• 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: 0.044
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No