Information card for entry 1550291

Structure parameters

• Formula: C53 H62 Cl2 N4 Ru
• Calculated formula: C53 H62 Cl2 N4 Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCCC1)(=C1N(C=CN1c1c(cc(cc1C)C)C)C1CCCCCC1)=C1C=C(c2ccccc12)c1ccccc1
• 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: 12.017 ± 0.002 Å
• b: 12.562 ± 0.002 Å
• c: 16.608 ± 0.002 Å
• α: 80.103 ± 0.01°
• β: 89.839 ± 0.01°
• γ: 70.644 ± 0.01°
• Cell volume: 2326.2 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1877
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.715
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No