Information card for entry 4135358

Structure parameters

• Formula: C46 H52 Cl2 Rh2
• Calculated formula: C46 H52 Cl2 Rh2
• 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: 14.5785 ± 0.0005 Å
• b: 11.9443 ± 0.0004 Å
• c: 10.9829 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1912.45 ± 0.13 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No