Information card for entry 7157725

Structure parameters

• Formula: C17 H22 F N O3
• Calculated formula: C17 H22 F N O3
• Title of publication: Diastereoselective synthesis and conformational analysis of 4,5-difluoropipecolic acids.
• Authors of publication: Chen, Suo; Ruan, Yao; Lu, Ji-Liang; Hunter, Luke; Hu, Xiang-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 8192 - 8198
• a: 8.6569 ± 0.0013 Å
• b: 11.7473 ± 0.0017 Å
• c: 16.347 ± 0.002 Å
• α: 98.164 ± 0.011°
• β: 91.884 ± 0.011°
• γ: 90.183 ± 0.012°
• Cell volume: 1644.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2644
• Weighted residual factors for all reflections included in the refinement: 0.3163
• 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