Information card for entry 4102935

Structure parameters

• Formula: C17 H18 I N O
• Calculated formula: C17 H18 I N O
• SMILES: N(C(=O)C)(c1c(I)cc(cc1C)C)Cc1ccccc1
• Title of publication: Memory of Axial Chirality in Aryl Radical Phosphanylations
• Authors of publication: Achim Bruch; Andrea Ambrosius; Roland Fröhlich; Armido Studer; David B. Guthrie; Hanmo Zhang; Dennis P. Curran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11452 - 11454
• a: 9.1093 ± 0.0003 Å
• b: 10.1239 ± 0.0003 Å
• c: 17.6114 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1624.15 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No