Information card for entry 4023430

Structure parameters

• Formula: C36 H47 Cl2 N3 O3 Ru
• Calculated formula: C36 H47 Cl2 N3 O3 Ru
• SMILES: [Ru]1(Cl)(=C2N(CCN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(O(c2c(cc(NC(=O)OCC(C)C)cc2)C=1)C(C)C)Cl
• Title of publication: Aminocarbonyl Group Containing Hoveyda-Grubbs-Type Complexes: Synthesis and Activity in Olefin Metathesis Transformations
• Authors of publication: Diane Rix; Fréderic Caijo; Isabelle Lauret; Fabien Boeda; Hervé Clavier; Steven P. Nolan; Marc Mauduit
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4225 - 4228
• a: 8.7851 ± 0.0005 Å
• b: 16.197 ± 0.001 Å
• c: 24.2681 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3453.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0732
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No