Information card for entry 4128558

Structure parameters

• Formula: C6 H10 Br N O
• Calculated formula: C6 H10 Br N O
• 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: 5.9616 ± 0.0005 Å
• b: 7.0596 ± 0.0005 Å
• c: 9.5102 ± 0.0006 Å
• α: 70.172 ± 0.006°
• β: 89.251 ± 0.006°
• γ: 79.122 ± 0.007°
• Cell volume: 369.19 ± 0.05 ų
• Cell temperature: 99.98 ± 0.11 K
• Ambient diffraction temperature: 99.98 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No