Information card for entry 7127472

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: c12ccc(cc1c(=O)n(c1CC(CC(=O)c21)(C)C)OC)C
• Title of publication: Harnessing hypervalent iodonium ylides as carbene precursors: C-H activation of N-methoxybenzamides with a Rh(iii)-catalyst.
• Authors of publication: Mayakrishnan, Sivakalai; Tamizmani, Masilamani; Maheswari, Naryanan Uma
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 98
• Pages of publication: 15462 - 15465
• a: 10.7764 ± 0.0004 Å
• b: 8.4814 ± 0.0003 Å
• c: 15.9946 ± 0.0007 Å
• α: 90°
• β: 97.431 ± 0.002°
• γ: 90°
• Cell volume: 1449.61 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1343
• 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: No