Information card for entry 2226686

Structure parameters

• Chemical name: (<i>S</i>)-<i>tert</i>-Butyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
• Formula: C18 H23 N3 O3
• Calculated formula: C18 H23 N3 O3
• SMILES: O=C(N1CCC[C@@H](C1)c1onc(n1)c1ccccc1)OC(C)(C)C
• Title of publication: (<i>S</i>)-<i>tert</i>-Butyl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
• Authors of publication: Liu, Lin; Xia, Guangxin; Liu, Xuejun; Xie, Jieshu; Shen, Jingkang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1576
• a: 6.464 ± 0.003 Å
• b: 15.515 ± 0.008 Å
• c: 17.847 ± 0.009 Å
• α: 90°
• β: 99.88 ± 0.007°
• γ: 90°
• Cell volume: 1763.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes