Information card for entry 7159835

Structure parameters

• Formula: C19 H25 F2 N O3
• Calculated formula: C19 H25 F2 N O3
• Title of publication: Synthesis of enantioenriched spirocyclic 2-arylpiperidines via kinetic resolution
• Authors of publication: Choi, Anthony; Das, Anjan; Meijer, Anthony J. H. M.; Proietti Silvestri, Ilaria; Coldham, Iain
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 1602 - 1607
• a: 6.496 ± 0.003 Å
• b: 11.821 ± 0.005 Å
• c: 12.772 ± 0.005 Å
• α: 73.748 ± 0.008°
• β: 83.671 ± 0.009°
• γ: 75.267 ± 0.008°
• Cell volume: 909.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0488
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No