Information card for entry 7129313

Structure parameters

• Chemical name: (R)-3-methyl-5-(trimethylsilyl)-2,3-dihydrobenzofuran-3-ol
• Formula: C12 H18 O2 Si
• Calculated formula: C12 H18 O2 Si
• SMILES: [Si](c1cc2c(OC[C@@]2(O)C)cc1)(C)(C)C
• Title of publication: Iridium-Catalyzed Enantioselective Intramolecular Hydroarylation of Allylic Aryl Ethers Devoid of a Directing Group on the Aryl Group
• Authors of publication: Ohmura, Toshimichi; Kusaka, Satoshi; Suginome, Michinori
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 6.7361 ± 0.0017 Å
• b: 21.906 ± 0.006 Å
• c: 26.843 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961 ± 1.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No