Information card for entry 4032687

Structure parameters

• Chemical name: Methyl 3-(4-methoxyphenethyl)-6-methyl-2-oxopiperidine-3-carboxylate
• Formula: C17 H23 N O4
• Calculated formula: C17 H23 N O4
• SMILES: N1[C@@H](C)CC[C@@](C1=O)(C(=O)OC)CCc1ccc(OC)cc1.N1[C@H](C)CC[C@](C1=O)(C(=O)OC)CCc1ccc(OC)cc1
• Title of publication: Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.
• Authors of publication: Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 18
• Pages of publication: 9537 - 9549
• a: 7.1505 ± 0.0017 Å
• b: 7.8314 ± 0.0019 Å
• c: 15.265 ± 0.004 Å
• α: 101.116 ± 0.004°
• β: 90.923 ± 0.004°
• γ: 96.993 ± 0.004°
• Cell volume: 831.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No