Information card for entry 4132109

Structure parameters

• Formula: C46 H43 Cl2 Fe N3 O2
• Calculated formula: C46 H43 Cl2 Fe N3 O2
• SMILES: [Fe]12(Cl)(Cl)[N](c3c(cc(OC)cc3C(c3ccccc3)c3ccccc3)C(c3ccccc3)c3ccccc3)=C(c3[n]1c(ccc3)C1OC[C@@H]([N]2=1)C(C)C)C
• Title of publication: Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.
• Authors of publication: Cheng, Biao; Liu, Wenbo; Lu, Zhan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 15
• Pages of publication: 5014 - 5017
• a: 10.363 ± 0.0004 Å
• b: 19.5669 ± 0.0007 Å
• c: 20.1438 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4084.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No