Information card for entry 7112319

Structure parameters

• Formula: C11 H12 F6 O2
• Calculated formula: C11 H12 F6 O2
• SMILES: FC1(F)C(=CC(F)(F)C(F)(F)C=C1OCC)OCC
• Title of publication: Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers.
• Authors of publication: Chia, Poh Wai; Bello, Davide; Slawin, Alexandra M. Z.; O'Hagan, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 2189 - 2191
• a: 9.4508 ± 0.0011 Å
• b: 26.424 ± 0.003 Å
• c: 5.05 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1261.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7108925
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No