Information card for entry 7151585

Structure parameters

• Formula: C10 H10 F6 O
• Calculated formula: C10 H10 F6 O
• SMILES: FC1C(F)(F)C(F)(F)C(=CCCCCC1=O)F
• Title of publication: Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry
• Authors of publication: DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 24
• Pages of publication: 4423
• a: 5.996 ± 0.001 Å
• b: 8.007 ± 0.002 Å
• c: 11.386 ± 0.002 Å
• α: 80.9 ± 0.03°
• β: 87.03 ± 0.03°
• γ: 78.66 ± 0.03°
• Cell volume: 529.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No