Information card for entry 4130689

Structure parameters

• Formula: C19 H23 N O3
• Calculated formula: C19 H23 N O3
• SMILES: O=C/C=C/C1(C(=O)CC(CC1=O)(C)C)c1ccc(N(C)C)cc1
• Title of publication: Nucleophilicity Parameters of Stabilized Iodonium Ylides for Characterizing Their Synthetic Potential.
• Authors of publication: Chelli, Saloua; Troshin, Konstantin; Mayer, Peter; Lakhdar, Sami; Ofial, Armin R.; Mayr, Herbert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10304 - 10313
• a: 9.7686 ± 0.0006 Å
• b: 10.9965 ± 0.0007 Å
• c: 17.577 ± 0.0011 Å
• α: 74.913 ± 0.006°
• β: 75.946 ± 0.005°
• γ: 75.948 ± 0.006°
• Cell volume: 1735.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1312
• 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