Information card for entry 4028550

Structure parameters

• Formula: C10 H18 F N O3
• Calculated formula: C10 H18 F N O3
• SMILES: F[C@@H]1[C@H](O)CCN(C1)C(=O)OC(C)(C)C
• Title of publication: Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry
• Authors of publication: Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 8892 - 8897
• a: 7.7639 ± 0.0004 Å
• b: 8.7343 ± 0.0005 Å
• c: 8.4835 ± 0.0004 Å
• α: 90°
• β: 98.013 ± 0.003°
• γ: 90°
• Cell volume: 569.67 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No