Information card for entry 4132852

Structure parameters

• Formula: C16 H14 I N O
• Calculated formula: C16 H14 I N O
• Title of publication: Carboiodination Catalyzed by Nickel.
• Authors of publication: Yoon, Hyung; Marchese, Austin D.; Lautens, Mark
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 35
• Pages of publication: 10950 - 10954
• a: 8.4494 ± 0.0006 Å
• b: 12.7483 ± 0.0008 Å
• c: 25.855 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2785 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No