Information card for entry 1516529

Structure parameters

• Formula: C20 H20 N2 O2
• Calculated formula: C20 H20 N2 O2
• SMILES: O(C(=O)Nc1c(c2c(cc1)cccc2)c1ncccc1)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: 9.508 ± 0.0004 Å
• b: 10.4245 ± 0.0004 Å
• c: 17.1939 ± 0.0007 Å
• α: 90°
• β: 98.397 ± 0.0017°
• γ: 90°
• Cell volume: 1685.92 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No