Information card for entry 4126442

Structure parameters

• Formula: C18 H21 I O2
• Calculated formula: C18 H21 I O2
• SMILES: Ic1ccc([C@H](O)[C@H](C(OC)(C)C)c2ccccc2)cc1.Ic1ccc([C@@H](O)[C@@H](C(OC)(C)C)c2ccccc2)cc1
• Title of publication: Intermolecular Radical Addition to Carbonyls Enabled by Visible Light Photoredox Initiated Hole Catalysis.
• Authors of publication: Pitzer, Lena; Sandfort, Frederik; Strieth-Kalthoff, Felix; Glorius, Frank
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 23.8415 ± 0.0011 Å
• b: 5.6954 ± 0.0003 Å
• c: 24.4039 ± 0.0009 Å
• α: 90°
• β: 99.119 ± 0.001°
• γ: 90°
• Cell volume: 3271.8 ± 0.3 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No