Information card for entry 1516527

Structure parameters

• Formula: C19 H22 N2 O4
• Calculated formula: C19 H22 N2 O4
• SMILES: O(C(=O)Nc1c(c2ncccc2)ccc(c1)C(=O)OCC)C(C)(C)C
• Title of publication: N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction.
• Authors of publication: Patel, Pitambar; Chang, Sukbok
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3328 - 3331
• a: 7.297 ± 0.002 Å
• b: 12.192 ± 0.004 Å
• c: 19.971 ± 0.006 Å
• α: 90°
• β: 94.898 ± 0.004°
• γ: 90°
• Cell volume: 1770.2 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No