Information card for entry 1542923

Structure parameters

• Formula: C17 H26 O Si
• Calculated formula: C17 H26 O Si
• SMILES: [Si](c1coc2c1cccc2)(C(C)C)(C(C)C)C(C)C
• Title of publication: Rhodium-Catalyzed Cycloisomerization of 2-Silylethynyl Phenols and Anilines via 1,2-Silicon Migration.
• Authors of publication: Kanno, Hiroshi; Nakamura, Kyosuke; Noguchi, Keiichi; Shibata, Yu; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1654 - 1657
• a: 8.7087 ± 0.0002 Å
• b: 31.9349 ± 0.0006 Å
• c: 14.3643 ± 0.0003 Å
• α: 90°
• β: 123.574 ± 0.001°
• γ: 90°
• Cell volume: 3328.42 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No