Information card for entry 4516711

Structure parameters

• Formula: C40 H46 Fe N4 O3
• Calculated formula: C40 H46 Fe N4 O3
• Title of publication: Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration
• Authors of publication: MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 7217
• a: 24.0256 ± 0.0005 Å
• b: 13.1262 ± 0.0003 Å
• c: 22.3213 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7039.4 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No