Information card for entry 1552266

Structure parameters

• Formula: C27 H37 F O2 Si
• Calculated formula: C27 H37 F O2 Si
• SMILES: [Si](C)(C)(C)C1=C[C@](COC)([C@@](c2c1ccc(F)c2)(C)CCCC)c1ccc(OC)cc1.[Si](C)(C)(C)C1=C[C@@](COC)([C@](c2c1ccc(F)c2)(C)CCCC)c1ccc(OC)cc1
• Title of publication: Diastereoselective Ring Opening of Fully-Substituted Cyclopropanes via Intramolecular Friedel‒Crafts Alkylation
• Authors of publication: Marek, Ilan; Lanke, Veeranjaneyulu; Zhang, Fa-Guang; Kaushansky, Alexander
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.3821 ± 0.0015 Å
• b: 12.1651 ± 0.0012 Å
• c: 16.6919 ± 0.0018 Å
• α: 90°
• β: 102.127 ± 0.003°
• γ: 90°
• Cell volume: 2656.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.155
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No