Information card for entry 1553129

Structure parameters

• Formula: C16 H25 F O2
• Calculated formula: C16 H25 F O2
• SMILES: F[C@@H]1C[C@@]2([C@H]3CC(=O)O[C@@]3(CC[C@H]2C(C1)(C)C)C)C
• Title of publication: Transition-metal free oxidative aliphatic C‒H fluorination
• Authors of publication: Zhang, Xiaofei; Guo, Shuo; Tang, Pingping
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 806
• a: 5.9958 ± 0.0012 Å
• b: 13.644 ± 0.003 Å
• c: 17.789 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1455.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No