Information card for entry 4518114

Structure parameters

• Formula: C7 H11 F N2 O
• Calculated formula: C7 H11 F N2 O
• 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: 4.7931 ± 0.0002 Å
• b: 12.9627 ± 0.0005 Å
• c: 12.803 ± 0.0005 Å
• α: 90°
• β: 97.469 ± 0.001°
• γ: 90°
• Cell volume: 788.72 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No