Information card for entry 4110399

Structure parameters

• Formula: C47 H58 Cl N2 Rh
• Calculated formula: C47 H58 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N([C@@H]([C@H](N4c4c(c(ccc4)C(C)C)C(C)C)c4ccccc4)c4ccccc4)c4c(c(ccc4)C(C)C)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Highly Active Chiral Ruthenium Catalysts for Asymmetric Ring-Closing Olefin Metathesis
• Authors of publication: Timothy W. Funk; Jacob M. Berlin; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1840 - 1846
• a: 12.7952 ± 0.0004 Å
• b: 17.7441 ± 0.0005 Å
• c: 18.5205 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4204.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No