Information card for entry 4125775

Structure parameters

• Formula: C14 H26 Fe O6
• Calculated formula: C14 H26 Fe O6
• SMILES: C([OH][Fe]12(OC(=CC(=[O]1)C)C)([OH]CC)OC(=CC(=[O]2)C)C)C
• 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: 5.2765 ± 0.0005 Å
• b: 8.7572 ± 0.0007 Å
• c: 9.3297 ± 0.0008 Å
• α: 75.803 ± 0.007°
• β: 82.097 ± 0.007°
• γ: 76.752 ± 0.007°
• Cell volume: 405.3 ± 0.06 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No