Information card for entry 7134497

Structure parameters

• Formula: C23 H30 O Si
• Calculated formula: C23 H30 O Si
• Title of publication: Arylative double bond transposition of allylic alcohols via silicon-tethered intramolecular benzyne–ene reactions
• Authors of publication: Kato, Ritsuki; Sakaue, Takaya; Tawatari, Tsukasa; Takasu, Kiyosei; Takikawa, Hiroshi
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 46
• Pages of publication: 8347 - 8350
• a: 7.62484 ± 0.00017 Å
• b: 37.0647 ± 0.0005 Å
• c: 7.72583 ± 0.00013 Å
• α: 90°
• β: 108.96 ± 0.002°
• γ: 90°
• Cell volume: 2064.96 ± 0.07 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0538
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No