Information card for entry 1555777

Structure parameters

• Common name: (E)-1-(2-Nitro-1-(p-tolyl)vinyl)piperidine
• Formula: C14 H18 N2 O2
• Calculated formula: C14 H18 N2 O2
• SMILES: O=N(=O)/C=C(/N1CCCCC1)c1ccc(cc1)C
• Title of publication: Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.
• Authors of publication: Gao, Mingchun; Xu, Bin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4746 - 4749
• a: 8.018 ± 0.006 Å
• b: 16.118 ± 0.013 Å
• c: 10.272 ± 0.008 Å
• α: 90°
• β: 94.878 ± 0.009°
• γ: 90°
• Cell volume: 1322.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No