Information card for entry 7152242

Structure parameters

• Common name: (Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn- 1-yl)oxy)(tert-but
• Chemical name: (Z)-((1-(4-bromophenyl)-4-(4-(tert-butyl)phenyl)but-1-en-3-yn-1-yl)oxy)(tert-butyl)dimethylsilane
• Formula: C26 H33 Br O Si
• Calculated formula: C26 H33 Br O Si
• SMILES: Brc1ccc(C(=C\C#Cc2ccc(cc2)C(C)(C)C)\O[Si](C)(C)C(C)(C)C)cc1
• Title of publication: Room temperature syntheses of entirely diverse substituted β-fluorofurans.
• Authors of publication: Li, Yan; Wheeler, Kraig A.; Dembinski, Roman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2395 - 2408
• a: 7.0214 ± 0.0002 Å
• b: 12.5519 ± 0.0005 Å
• c: 14.2927 ± 0.0005 Å
• α: 93.591 ± 0.002°
• β: 92.24 ± 0.002°
• γ: 103.988 ± 0.002°
• Cell volume: 1217.98 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No