Information card for entry 4110080

Structure parameters

• Formula: C26 H26 Cl F4 N2 Rh
• Calculated formula: C26 H26 Cl F4 N2 Rh
• SMILES: C1(N(C=C2C3=CC=C(CCc4c(c(c(c(c4F)F)CC3)F)F)N12)C)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl
• Title of publication: Effective Modulation of the Donor Properties of N-Heterocyclic Carbene Ligands by "Through-Space" Communication within a Planar Chiral Scaffold
• Authors of publication: Alois Fürstner; Manuel Alcarazo; Helga Krause; Christian W. Lehmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12676 - 12677
• a: 7.2668 ± 0.0001 Å
• b: 13.4135 ± 0.0003 Å
• c: 23.4946 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2290.09 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0266
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No