Information card for entry 4110082

Structure parameters

• Formula: C26 H30 Cl N2 Rh
• Calculated formula: C26 H30 Cl N2 Rh
• SMILES: C1(N2C3=CC=C(C2=CN1C)CCc1ccc(CC3)cc1)=[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: 19.2002 ± 0.0002 Å
• b: 6.9127 ± 0.0001 Å
• c: 18.6081 ± 0.0002 Å
• α: 90°
• β: 117.46°
• γ: 90°
• Cell volume: 2191.5 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.646
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No