Information card for entry 1550289

Structure parameters

• Formula: C53.5 H66 Cl3 N4 O1.5 Ru
• Calculated formula: C53.5 H66 Cl3 N4 O1.5 Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCC1)(=C1c2ccccc2C(=C1)c1ccccc1)=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCC1.ClCCl.OCC.O
• Title of publication: Highly selective macrocyclic ring-closing metathesis of terminal olefins in non-chlorinated solvents at low dilution
• Authors of publication: DUMAS, Adrien; Colombel-Rouen, Sophie; Curbet, Idriss; Forcher, Gwénaël; Tripoteau, Fabien; Caijo, Frédéric; Rouen, Mathieu; Queval, Pierre; Basle, Olivier; Mauduit, Marc
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 11.961 ± 0.001 Å
• b: 16.591 ± 0.001 Å
• c: 26.614 ± 0.002 Å
• α: 93.877 ± 0.006°
• β: 90.681 ± 0.006°
• γ: 98.321 ± 0.007°
• Cell volume: 5212.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No