Information card for entry 4035335

Structure parameters

• Formula: C11 H18 F2 O2
• Calculated formula: C11 H18 F2 O2
• SMILES: FC1(F)[C@H](O)[C@@]2(O)[C@H](C[C@H]1C)CCCC2.FC1(F)[C@@H](O)[C@]2(O)[C@@H](C[C@@H]1C)CCCC2
• Title of publication: Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.
• Authors of publication: McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 16
• Pages of publication: 8888 - 8905
• a: 9.5614 ± 0.0009 Å
• b: 23.1922 ± 0.0014 Å
• c: 10.6309 ± 0.0009 Å
• α: 90°
• β: 114.258 ± 0.011°
• γ: 90°
• Cell volume: 2149.3 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1011
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No