Information card for entry 7128859

Structure parameters

• Formula: C16 H28 N2 O4
• Calculated formula: C16 H28 N2 O4
• SMILES: O[C@@H]1CN([C@@H](C1)C(=O)NC1CCCCC1)C(=O)OC(C)(C)C
• Title of publication: Cu(OTf)₂ catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.
• Authors of publication: Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9248 - 9251
• a: 9.6865 ± 0.0007 Å
• b: 10.34 ± 0.0008 Å
• c: 17.7546 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No