Information card for entry 4518110

Structure parameters

• Formula: C5 H8 F N O
• Calculated formula: C5 H8 F N 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: 6.8234 ± 0.0008 Å
• b: 7.0364 ± 0.0007 Å
• c: 11.2928 ± 0.0013 Å
• α: 90°
• β: 93.296 ± 0.005°
• γ: 90°
• Cell volume: 541.29 ± 0.1 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: 0.0435
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No