Information card for entry 4518113

Structure parameters

• Formula: C13 H19 F N2 O2
• Calculated formula: C13 H19 F N2 O2
• Title of publication: Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation
• Authors of publication: Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 12052 - 12057
• a: 11.8985 ± 0.0002 Å
• b: 7.4145 ± 0.0002 Å
• c: 15.3304 ± 0.0003 Å
• α: 90°
• β: 101.584 ± 0.001°
• γ: 90°
• Cell volume: 1324.92 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No