Information card for entry 1550290

Structure parameters

• Formula: C63 H82 Cl2 N4 Ru
• Calculated formula: C63 H82 Cl2 N4 Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(C=CN1C1CCCCCCCCCCC1)c1c(cc(cc1C)C)C)(=C1C=C(c2ccccc12)c1ccccc1)=C1N(C=CN1C1CCCCCCCCCCC1)c1c(cc(cc1C)C)C
• 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: 11.206 ± 0.0003 Å
• b: 15.0047 ± 0.0004 Å
• c: 33.7602 ± 0.001 Å
• α: 90°
• β: 96.909 ± 0.003°
• γ: 90°
• Cell volume: 5635.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.685
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No