Information card for entry 4135356

Structure parameters

• Formula: C20 H24 Cl2 Fe N2
• Calculated formula: C20 H24 Cl2 Fe N2
• Title of publication: Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.
• Authors of publication: Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 47
• Pages of publication: 19819 - 19824
• a: 10.40448 ± 0.00016 Å
• b: 10.40448 ± 0.00016 Å
• c: 9.2611 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1002.54 ± 0.03 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No