Information card for entry 4073405

Structure parameters

• Formula: C46 H73 Cl2 N2 P Ru
• Calculated formula: C46 H73 Cl2 N2 P Ru
• SMILES: [Ru](Cl)(Cl)(=Cc1ccccc1)(=C1N([C@@H]([C@H](N1C)C(C)(C)C)C(C)(C)C)c1c(cccc1)C(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: A Highly Active Chiral Ruthenium-Based Catalyst for Enantioselective Olefin Metathesis
• Authors of publication: Fournier, Pierre-André; Collins, Shawn K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 2945
• a: 19.9387 ± 0.0011 Å
• b: 11.3926 ± 0.0007 Å
• c: 21.9592 ± 0.0012 Å
• α: 90°
• β: 100.816 ± 0.001°
• γ: 90°
• Cell volume: 4899.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No