Information card for entry 4518112

Structure parameters

• Formula: C13 H14 F4 N2 O
• Calculated formula: C13 H14 F4 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: 12.8484 ± 0.0003 Å
• b: 8.4676 ± 0.0002 Å
• c: 11.8938 ± 0.0003 Å
• α: 90°
• β: 95.519 ± 0.001°
• γ: 90°
• Cell volume: 1287.99 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No