Information card for entry 4106938

Structure parameters

• Formula: C15 H17 I2 N O
• Calculated formula: C15 H17 I2 N O
• Title of publication: One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield
• Authors of publication: Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16270 - 16276
• a: 11.0072 ± 0.0004 Å
• b: 17.2751 ± 0.0005 Å
• c: 17.6048 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3347.56 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No