Information card for entry 4125478

Structure parameters

• Formula: C19.5 H33.5 N4 O3 S Si
• Calculated formula: C19.5 H33.5 N4 O3 S Si
• Title of publication: Fe-Catalyzed C-C Bond Construction from Olefins via Radicals.
• Authors of publication: Lo, Julian C.; Kim, Dongyoung; Pan, Chung-Mao; Edwards, Jacob T.; Yabe, Yuki; Gui, Jinghan; Qin, Tian; Gutiérrez, Sara; Giacoboni, Jessica; Smith, Myles W.; Holland, Patrick L.; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 6
• Pages of publication: 2484 - 2503
• a: 8.0108 ± 0.0003 Å
• b: 16.3497 ± 0.0005 Å
• c: 36.6816 ± 0.0012 Å
• α: 90°
• β: 90.004 ± 0.002°
• γ: 90°
• Cell volume: 4804.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0698
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No