Information card for entry 4105633

Structure parameters

• Formula: C13 H14 I N O2
• Calculated formula: C13 H14 I N O2
• Title of publication: Palladium-Catalyzed Carboiodination of Alkenes: Carbon-Carbon Bond Formation with Retention of Reactive Functionality
• Authors of publication: Stephen G. Newman; Mark Lautens
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1778 - 1780
• a: 6.4325 ± 0.0003 Å
• b: 15.2429 ± 0.0007 Å
• c: 13.15 ± 0.0004 Å
• α: 90°
• β: 101.416 ± 0.003°
• γ: 90°
• Cell volume: 1263.85 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No