Information card for entry 4126443

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• SMILES: N#Cc1ccc([C@@H](O)[C@@H](C(OC)(C)C)c2ccccc2)cc1.N#Cc1ccc([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: 12.5365 ± 0.0008 Å
• b: 5.7239 ± 0.0004 Å
• c: 22.1364 ± 0.0014 Å
• α: 90°
• β: 91.375 ± 0.004°
• γ: 90°
• Cell volume: 1588 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No