Information card for entry 4128556

Structure parameters

• Formula: C16 H21 N O3
• Calculated formula: C16 H21 N O3
• Title of publication: Ligand Controlled Ir-Catalyzed Regiodivergent Oxyamination of Unactivated Alkenes.
• Authors of publication: Lei, Honghui; Conway, Jr, John H; Cook, Caleb C.; Rovis, Tomislav
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 30
• Pages of publication: 11864 - 11869
• a: 22.174 ± 0.001 Å
• b: 10.4504 ± 0.0004 Å
• c: 28.6661 ± 0.0014 Å
• α: 90°
• β: 111.129 ± 0.005°
• γ: 90°
• Cell volume: 6196.1 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No